SCHEMBL8401988

SCHEMBL8401988

OCC1=CCC2(CC1)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL12972229 0.81
SCHEMBL3293554 0.79 IKBKE (0.32) ALDH1A1
SCHEMBL30984508 0.77
SCHEMBL1187089 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13325881 0.74 CALM1 (0.34) ALDH1A1
SCHEMBL12556815 0.74
SCHEMBL17471333 0.73 TBK1 (0.40) ALDH1A1SUV39H2
SCHEMBL3396841 0.72 CES2 (0.31) ALOX15CYP1B1ALDH1A1
Boric Acid SCHEMBL22284324 0.72
SCHEMBL11801837 0.71 PKM (0.33) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125488-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2024-06-20 WO disclosed
WO-2024015346-A1 CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. d.b.a PROTEOVANT THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
EP-3774755-B1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE PHENEX DISCOVERY VERWALTUNGS GMBH (DE) 2022-05-18 EP disclosed
EP-3774755-B1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE PHENEX DISCOVERY VERWALTUNGS GMBH (DE) 2022-05-18 EP disclosed
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-21 US disclosed
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-21 US disclosed
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-07-22 US disclosed
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-07-22 US disclosed
US-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2021-04-29 US disclosed
US-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2021-04-29 US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed
WO-2014009222-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION BASILEA PHARMACEUTICA AG (CH) 2014-01-16 WO disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
US-20130317001-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2013-11-28 US disclosed
WO-2013177224-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN GENENTECH, INC. (US) 2013-11-28 WO disclosed
US-5972979-A Tricyclic spiro compounds as 5HT1D receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1999-10-26 US disclosed
EP-0862565-A1 TRICYCLIC SPIRO COMPOUNDS AS 5HT 1D? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP disclosed
WO-1997019070-A1 TRICYCLIC SPIRO COMPOUNDS AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-05-29 WO 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-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 ALOX15 957/4885CYP1B1 170/4885ALDH1A1 327/4885
US-20130317001-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SNRPD2 ALOX15 3896/4885CYP1B1 89/4885ALDH1A1 2216/4885
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT ALOX15 366/4885CYP1B1 239/4885ALDH1A1 373/4885
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT ALOX15 366/4885CYP1B1 239/4885ALDH1A1 373/4885

“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.