SCHEMBL3674004

SCHEMBL3674004

O=C1C=CC(O)(c2ccccc2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
TLR9 Q9NR96 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
EHMT2 Q96KQ7 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CA7 P43166 1/20 0.34
RECQL P46063 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL11749210 0.80 POLB (0.43) POLBGPR55CA1CA2TSHR
Hydrogen Sulfide SCHEMBL11119004 0.79 POLB (0.37) POLBGPR55AKR1C1
SCHEMBL15146014 0.78 CA1 (0.34) MAPTRAB9ACA1CA2CA7
SCHEMBL3676048 0.77 SLC6A4 (0.39) KMT2A
SCHEMBL5906264 0.76 TLR9 (0.40) POLBTLR9MMP2MMP9MAPT
SCHEMBL31148872 0.74 MMP2 (0.36) MMP2MMP9
SCHEMBL28350266 0.73 TLR9 (0.38) POLBTLR9MMP2MMP9MAPT
SCHEMBL8873990 0.73 MMP2 (0.47) POLBGPR55TLR9MMP2MMP9
SCHEMBL9206297 0.70 POLB (0.41) POLBGPR55MMP2MMP9GAA
SCHEMBL3677177 0.70 CHRM2 (0.37) POLBTLR9RAB9AALDH1A1EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772168-A Synthesis method of bis (3-difluoromethylpyrazoline) 7-oxabicyclo [2, 1] heptane compound 西北师范大学 2024-10-15 CN disclosed
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
US-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-21 US disclosed
US-7144893-B2 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-05 US disclosed
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-11-04 US disclosed
EP-1404659-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2004-04-07 EP disclosed
WO-2003004479-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-16 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 (2 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-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents TXNRD3, TXNRD1, TXN POLB 1283/4885GPR55 3220/4885TLR9 4691/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 POLB 1631/4885GPR55 3088/4885TLR9 4432/4885

“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.