SCHEMBL1506423

SCHEMBL1506423

COc1ccc(C2CCC(O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.59
DRD2 P14416 1/20 0.56
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM1A O60341 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HSD11B1 P28845 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 3/20 0.43

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
SCHEMBL1506578 1.00 ESR2 (0.59) ESR2DRD2CYP3A4CYP2C9KCNH2
SCHEMBL1506422 1.00 ESR2 (0.59) ESR2DRD2CYP3A4CYP2C9KCNH2
SCHEMBL16742999 0.93 ESR2 (0.64) ESR2DRD2CYP3A4CYP2C9KCNH2
SCHEMBL11046077 0.90 ESR2 (0.49) ESR2DRD2CYP3A4CYP2C9KCNH2
SCHEMBL1515026 0.89 DRD2 (0.59) DRD2ALDH1A1KDM1ASMN1; SMN2MAPT
SCHEMBL14716871 0.89 DRD2 (0.53) ESR2DRD2ALDH1A1KDM1ASMN1; SMN2
SCHEMBL2730373 0.89 DRD2 (0.53) ESR2DRD2ALDH1A1KDM1ASMN1; SMN2
SCHEMBL1095456 0.86 APP (0.51) ESR2DRD2CYP3A4CYP2C9KCNH2
SCHEMBL1095457 0.86 APP (0.51) ESR2DRD2CYP3A4CYP2C9KCNH2
Bicarbonate SCHEMBL6207408 0.84 ALDH1A1 (0.52) DRD2ALDH1A1KDM1ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999450-B Immunomodulator 弗莱塞斯生物科学公司 2021-07-09 CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-20180325889-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-11-15 US disclosed
EP-3215142-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 EP disclosed
CN-106999450-A immunomodulator 弗莱塞斯生物科学公司 2017-08-01 CN disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
WO-2016114066-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC株式会社 2016-07-21 WO disclosed
WO-2016114346-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC株式会社 2016-07-21 WO disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed
EP-0303398-B1 PREPARATION PROCESS OF 4-(4-HYDROXYPHENYL)-CYCLOHEXANOL MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-12-11 EP disclosed
EP-0303398-A1 Preparation process of 4-(4-hydroxyphenyl)-cyclohexanol MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-02-15 EP disclosed
US-4631328-A LIQUID CRYSTALS BASF AKTIENGESELLSCHAFT (DE) 1986-12-23 US disclosed
EP-0090282-B1 POLYMERS HAVING MESOGEN GROUPS AND COLOURING MATTER IN THE SIDE CHAIN BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed
EP-0035902-B1 1-(4-ARYL-CYCLOHEXYL)PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-31 EP disclosed
EP-0090282-A1 Polymers having mesogen groups and colouring matter in the side chain BASF Aktiengesellschaft (DE) 1983-10-05 EP disclosed
US-4329353-A ANTIEMETIC AND NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-05-11 US disclosed
EP-0035902-A1 1-(4-Aryl-cyclohexyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-09-16 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 (3 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-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT ESR2 1493/4885DRD2 2086/4885CYP3A4 1482/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT ESR2 1493/4885DRD2 2086/4885CYP3A4 1482/4885
US-20180325889-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT ESR2 1493/4885DRD2 2086/4885CYP3A4 1482/4885

“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.