SCHEMBL827738

SCHEMBL827738

CC(C)c1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
FFAR1 O14842 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
HTR1B P28222 2/20 0.44
PIK3CD O00329 1/20 0.42
HTR2C P28335 3/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
HTR2B P41595 2/20 0.41
TSHR P16473 2/20 0.41
BLM P54132 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL31492069 0.84 AHR (0.47) AHRFFAR1GPR84HTR1BPIK3CD
SCHEMBL3730120 0.84 AHR (0.47) AHRFFAR1GPR84HTR1BPIK3CD
SCHEMBL6902688 0.84 AHR (0.47) AHRFFAR1GPR84HTR1BPIK3CD
SCHEMBL15596497 0.83 PIK3CD (0.47) AHRFFAR1GPR84HTR1BPIK3CD
SCHEMBL3793641 0.81 GPR84 (0.46) AHRFFAR1GPR84HTR1BHTR2C
SCHEMBL6099297 0.78 PTGS2 (0.42) AHRHTR1BKDM4E
SCHEMBL29966571 0.78 PTGS2 (0.42) AHRHTR1BKDM4E
SCHEMBL29777154 0.77 HTR6 (0.43) AHRFFAR1GPR84HTR1BPIK3CD
SCHEMBL5150779 0.77 AHR (0.41) AHRFFAR1GPR84HTR1BPIK3CD
SCHEMBL10372813 0.77 HTR6 (0.43) AHRFFAR1GPR84HTR1BPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4046774-A Process for N-phosphorylation of heterocyclic amines MOBIL OIL CORPORATION (US) 1977-09-06 US claimed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
WO-2024026540-A1 INHIBITORS AND USES THEREFOR MACQUARIE UNIVERSITY (AU) 2024-02-08 WO disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-7115751-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2006-10-03 US disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 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
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 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 (7 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-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD AHR 1196/4885FFAR1 203/4885GPR84 1830/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS AHR 67/4885FFAR1 2474/4885GPR84 2397/4885
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT AHR 60/4885FFAR1 4502/4885GPR84 4150/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 AHR 3059/4885FFAR1 2934/4885GPR84 1417/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT AHR 51/4885FFAR1 4577/4885GPR84 4312/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS AHR 3063/4885FFAR1 4554/4885GPR84 4082/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS AHR 732/4885FFAR1 3596/4885GPR84 3460/4885

“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.