SCHEMBL3596582

SCHEMBL3596582

CCOC(=O)CC1CCOc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.42
IDO1 P14902 1/20 0.42
SSTR4 P31391 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
MGAM O43451 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29960371 1.00 POLB (0.45) POLBCYP1A2L3MBTL1PTGDR2IDO1
SCHEMBL3349544 0.86 L3MBTL1 (0.49) POLBCYP1A2L3MBTL1KDM4ETSHR
SCHEMBL12214578 0.83 HSD17B1 (0.45) PTGDR2KDM4ENPC1TP53GLA
SCHEMBL30070421 0.82 MAP3K14 (0.50) TSHRNPC1TP53GLARAB9A
SCHEMBL28881673 0.82 MAP3K14 (0.50) TSHRNPC1TP53GLARAB9A
SCHEMBL29960528 0.81 PPARD (0.46) L3MBTL1PTGDR2TP53
SCHEMBL8143471 0.81 PPARD (0.46) L3MBTL1PTGDR2TP53
SCHEMBL8566099 0.81 LTA4H (0.39) PTGDR2SSTR4KCNH2GAA
SCHEMBL12214587 0.80 FFAR1 (0.54) NPC1RAB9AALDH1A1
SCHEMBL29960072 0.80 L3MBTL1 (0.42) POLBL3MBTL1PTGDR2KDM4ETSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
US-11136292-B2 Plant growth regulator compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-10-05 US disclosed
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 WO disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 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 (6 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 POLB 3704/4885CYP1A2 182/4885L3MBTL1 4275/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C POLB 3235/4885CYP1A2 201/4885L3MBTL1 3566/4885
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 POLB 3259/4885CYP1A2 112/4885L3MBTL1 1676/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C POLB 3235/4885CYP1A2 201/4885L3MBTL1 3566/4885
US-11136292-B2 Plant growth regulator compounds FGF1, MST1, CDC20 POLB 3208/4885CYP1A2 3770/4885L3MBTL1 3472/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 POLB 3208/4885CYP1A2 3770/4885L3MBTL1 3472/4885

“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.