SCHEMBL3594092

SCHEMBL3594092

COC(Br)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.46
LTA4H P09960 2/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.36
SLC6A4 P31645 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAP2K7 O14733 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 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
SCHEMBL17395129 0.77 ACHE (0.55) SLC6A4LMNAALDH1A1TP53CYP3A4
SCHEMBL8893040 0.76 CA4 (0.46) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL8507737 0.76 CA4 (0.41) CA4LTA4HTSHRKDM4EMTNR1A
SCHEMBL5519288 0.76 CA4 (0.41) CA4LTA4HTSHRKDM4EMTNR1A
SCHEMBL28267812 0.76 LMNA (0.44) LTA4HLMNATDP1CHRNB4CHRNA3
SCHEMBL2020254 0.75 CA4 (0.43) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL2356964 0.75 CA4 (0.50) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL3906412 0.75 CA4 (0.50) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL10002053 0.74 CA4 (0.44) CA4LTA4HTSHRKDM4ESLC6A4
SCHEMBL1629365 0.74 LTA4H (0.45) CA4LTA4HTSHRKDM4ESLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
CN-101321529-B Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD 2012-09-05 CN disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
CN-101242876-B Oxidizing hair coloring agents containing m-aminophenol derivatives PROCTER & GAMBLE 2011-05-11 CN disclosed
US-7842822-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2010-11-30 US disclosed
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2009-12-03 US disclosed
US-7585985-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
US-20080312312-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2008-12-18 US disclosed
CN-101321529-A Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD (JP) 2008-12-10 CN disclosed
US-7442812-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2008-10-28 US disclosed
EP-1626974-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 CN disclosed
US-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
CN-1193000-C Biphenyl derivatives substituted by an aromatic or heteroaromatic radical and pharmaceutical and cometic compositions containing same GALDERMA RES & DEV I (FR) 2005-03-16 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed
CN-1236354-A Aryl-or heteroaryl-substituted biphenyl derivatives and pharmaceutical and cosmetic compositions containing them GALDERMA RES & DEV (FR) 1999-11-24 CN disclosed
EP-0952974-A1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 1999-11-03 EP disclosed
WO-1999010308-A1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1999-03-04 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 (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-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists MCHR1, MCHR2, MC1R CA4 4070/4885LTA4H 1236/4885TSHR 163/4885
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 CA4 3552/4885LTA4H 1545/4885TSHR 629/4885
US-20080312312-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 CA4 3552/4885LTA4H 1545/4885TSHR 629/4885

“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.