SCHEMBL1786936

SCHEMBL1786936

CC1(C(=O)O)Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.44
FFAR3 O14843 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HRH1 P35367 2/20 0.43
HTR2B P41595 2/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.39
CXCR5 P32302 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.39
MME P08473 1/20 0.39

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
Hydrochloric Acid SCHEMBL9526798 0.98 HDAC9 (0.43) HDAC9FFAR3HTR2AHTR2CHRH1
SCHEMBL28948935 0.86 IDH1 (0.44) HDAC9FFAR3HTR2AHTR2CHRH1
SCHEMBL29857016 0.86 IDH1 (0.44) HDAC9FFAR3HTR2AHTR2CHRH1
SCHEMBL2055543 0.86 IDH1 (0.44) HDAC9FFAR3HTR2AHTR2CHRH1
SCHEMBL8114506 0.82 NOTUM (0.43) HDAC9POLBL3MBTL1BRD4LMNA
SCHEMBL9526787 0.80 BRD4 (0.41) HDAC9POLBL3MBTL1BRD4LMNA
SCHEMBL2055554 0.80 BRD4 (0.41) HDAC9HTR2APOLBL3MBTL1BRD4
SCHEMBL24440168 0.79 LMNA (0.38) FFAR3BRD4LMNACXCR5NOTUM
SCHEMBL22714324 0.78 FFAR3 (0.37) FFAR3POLBNOTUM
SCHEMBL21142424 0.78 NPC1 (0.37) FFAR3L3MBTL1BRD4LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109832-A1 RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING: FOUR-STEP TOTAL SYNTHESIS OF (±)-RUSSUJAPONOL F NATIONAL INSTITUTES OF HEALTH 2024-04-04 US disclosed
CN-116568658-A Rapid construction of tetrahydronaphthalenes, chromanes and indane motifs via cyclized C-H/C-H couplings 斯克里普斯研究学院 2023-08-08 CN disclosed
WO-2022103752-A1 RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING THE SCRIPPS RESEARCH INSTITUTE (US) 2022-05-19 WO disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
CN-102516115-B As the antagonist of Opioid Receptors or the new compound of inverse agonist SMITHKLINE BEECHAN CORP. (US) 2016-05-11 CN disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 WO disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 WO disclosed
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0310745-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ORION-YHTYMÄ OY (FI) 1993-01-27 EP disclosed
EP-0183492-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1989-11-15 EP disclosed
EP-0310745-A2 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÄ OY (FI) 1989-04-12 EP disclosed
US-4689339-A 4-dihydroinden-2-yl-, 4-tetrahydronaphth-2-yl-, and 4-dihydrobenzofuran-2-ylimidazoles, useful to block α2 -adrenergic receptors FARMOS YHTYMA OY (FI) 1987-08-25 US disclosed
EP-0183492-A1 Substituted imidazole derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1986-06-04 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 (4 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C HDAC9 719/4885FFAR3 4212/4885HTR2A 2/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HDAC9 719/4885FFAR3 4212/4885HTR2A 2/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 HDAC9 2759/4885FFAR3 184/4885HTR2A 205/4885
US-20240109832-A1 RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING: FOUR-STEP TOTAL SYNTHESIS OF (±)-RUSSUJAPONOL F HCCS, TAC3, CTRC HDAC9 3285/4885FFAR3 136/4885HTR2A 3303/4885

“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.