SCHEMBL10458490

SCHEMBL10458490

CCC(=O)c1ccc2cc(CC)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLKB1 P03952 1/20 0.46
PRSS1 P07477 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL10457821 0.95 CYP1A2 (0.50) CYP1A2CYP2A6SMN1; SMN2RAB9AALDH1A1
SCHEMBL21573033 0.88 ALDH1A1 (0.59) CYP1A2SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL10975747 0.86 THRA (0.49) CYP1A2CYP2A6SMN1; SMN2RAB9AALDH1A1
SCHEMBL9655511 0.86 ALDH1A1 (0.51) CYP1A2CYP2A6SMN1; SMN2RAB9AALDH1A1
SCHEMBL5558051 0.83 ALDH1A1 (0.64) CYP1A2CYP2A6SMN1; SMN2RAB9AALDH1A1
SCHEMBL6803029 0.83 CYP2A6 (0.53) CYP1A2CYP2A6SMN1; SMN2RAB9AALDH1A1
SCHEMBL12125696 0.81 LCK (0.56) CYP1A2CYP2A6SMN1; SMN2ALDH1A1AKR1C3
SCHEMBL19554271 0.81 CYP1A2 (0.52) CYP1A2CYP2A6SMN1; SMN2RAB9AALDH1A1
SCHEMBL30623333 0.81 SMN1; SMN2 (0.72) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL15385104 0.81 KDM4E (0.56) CYP1A2SMN1; SMN2RAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 US disclosed
US-4935537-A OXIDIZING ACYLALKYLNAPHTHALENE WITH PEROXIDE, OXIDIZING PRODUCT WITH OXYGEN USING CATALYST CONTAINING COBALT AND BROMINE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-06-19 US disclosed
US-4801737-A Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-01-31 US disclosed
EP-0170273-B1 PROCESS FOR PRODUCING ACYLOXYNAPHTHOIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-12-28 EP disclosed
EP-0170273-A2 Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-02-05 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 (1 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-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A CYP1A2 2568/4885CYP2A6 2050/4885SMN1; SMN2 1890/4885

“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.