SCHEMBL827229

SCHEMBL827229

CC(C)c1ccc2ccoc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.49
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PEPD P12955 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30286862 1.00 HTR1B (0.49) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL826152 0.94 HTR1B (0.45) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL20072504 0.84 HTR1B (0.46) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL2093603 0.84 HTR1B (0.46) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL2607415 0.83 HTR1B (0.49) HTR1BKDM4EHSD17B10CYP2A6ALDH1A1
SCHEMBL3790878 0.81 HTR1B (0.49) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL19308858 0.81 HTR1B (0.42) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL25637607 0.80 HTR1B (0.46) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL23075680 0.78 HTR1B (0.40) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL25478994 0.78 HTR1B (0.54) HTR1BKDM4EHSD17B10CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4395500-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2024-07-03 EP disclosed
EP-4395521-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE COMPRISING THE CONDENSED CYCLIC COMPOUND, AND ELECTRONIC APPARATUS COMPRISING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2024-07-03 EP disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
EP-4306613-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC DEVICE INCLUDING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2024-01-17 EP disclosed
US-20230399317-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-12-14 US disclosed
US-20230399317-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-12-14 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-16 US disclosed
US-20230357207-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS BCP3 PTY LIMITED (AU) 2023-11-09 US disclosed
US-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
WO-2007087488-A9 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2008-08-28 WO disclosed
EP-1947085-A1 Substituted indole sulfonamide compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 US disclosed
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER INC. 2007-06-21 US disclosed
US-7186742-B2 Benzamide inhibitors of the P2X7 receptor PFIZER INC (US) 2007-03-06 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 HTR1B 4127/4885KDM4E 4298/4885HSD17B10 2517/4885
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 HTR1B 746/4885KDM4E 2875/4885HSD17B10 2665/4885
US-20230399317-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS MPO, MUC1, CRYAB HTR1B 2948/4885KDM4E 3937/4885HSD17B10 326/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD HTR1B 880/4885KDM4E 3245/4885HSD17B10 485/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS HTR1B 3539/4885KDM4E 2745/4885HSD17B10 2772/4885
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, CHRM1, FOXM1 HTR1B 2137/4885KDM4E 3285/4885HSD17B10 3846/4885
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor IL1R1, P2RY1, P2RX1 HTR1B 605/4885KDM4E 4185/4885HSD17B10 4465/4885
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARD, PPARG, PPARA HTR1B 1441/4885KDM4E 2790/4885HSD17B10 419/4885
US-20230357207-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS MUC1, MPO, SERPINB1 HTR1B 2723/4885KDM4E 3905/4885HSD17B10 330/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.