SCHEMBL35774

SCHEMBL35774

OCc1ccc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
BACE1 P56817 2/20 0.47
FOLH1 Q04609 1/20 0.46
CSNK2A1 P68400 2/20 0.46
ALOX5 P09917 1/20 0.45
TTR P02766 1/20 0.44
LTA4H P09960 1/20 0.43
CHEK1 O14757 1/20 0.43
PDK2 Q15119 1/20 0.43
PRKCI P41743 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ENPP2 Q13822 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42

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
SCHEMBL10968927 0.86 MKNK1 (0.62) TSHRPRKCI
SCHEMBL11138765 0.86 ATM (0.47) TSHRBACE1FOLH1CSNK2A1PRKCI
SCHEMBL14832184 0.84 ALOX5 (0.59) TSHRBACE1FOLH1CSNK2A1ALOX5
SCHEMBL30639035 0.83 ALDH1A1 (0.53) TSHRBACE1FOLH1CSNK2A1TTR
SCHEMBL14832169 0.83 BACE1 (0.68) TSHRBACE1ALOX5TTRPTPN2
SCHEMBL2865461 0.83 TSHR (0.46) TSHRBACE1FOLH1CSNK2A1ALOX5
SCHEMBL2861280 0.83 TSHR (0.46) TSHRBACE1FOLH1CSNK2A1TTR
SCHEMBL35773 0.81 TSHR (0.62) TSHRBACE1LTA4HPDK2
SCHEMBL538836 0.81 PTGS1 (0.47) TSHRBACE1FOLH1CSNK2A1PDK2
SCHEMBL11445119 0.81 BACE1 (0.47) TSHRBACE1TTRLTA4HPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877607-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2006-11-15 EP claimed
US-6794415-B2 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. (FR) 2004-09-21 US claimed
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. 2004-03-04 US claimed
US-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents LESUISSE DOMINIQUE (FR) 2002-06-06 US claimed
US-6288126-B1 Biphenyl compounds and use thereof as oestrogenic agents AVENTIS PHARMA S.A. 2001-09-11 US claimed
US-8513220-B2 Aromatic compounds having sphingosine-1-phosphonate (S1P) receptor activity ALLERGAN, INC. (US) 2013-08-20 US disclosed
EP-2569322-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY Allergan, Inc. (US) 2013-03-20 EP disclosed
US-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2013-01-17 US disclosed
WO-2011143332-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2011-11-17 WO disclosed
US-20110281822-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2011-11-17 US disclosed
EP-0877607-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2006-11-15 EP disclosed
US-6794415-B2 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. (FR) 2004-09-21 US disclosed
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. 2004-03-04 US disclosed
US-6563008-B2 Treatment of disorders linked to hypofolliculinemia and of certain estrogen-dependent pathologies such as prostatic adenomas or carcinomas, and of benign tumours of the breast AVENTIS PHARMA S.A. (FR) 2003-05-13 US disclosed
US-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents LESUISSE DOMINIQUE (FR) 2002-06-06 US disclosed
US-6288126-B1 Biphenyl compounds and use thereof as oestrogenic agents AVENTIS PHARMA S.A. 2001-09-11 US 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 (4 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-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents ESR2, ESR1, CYP19A1 TSHR 451/4885BACE1 1661/4885FOLH1 1440/4885
US-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 TSHR 704/4885BACE1 1490/4885FOLH1 1598/4885
US-20110281822-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 TSHR 704/4885BACE1 1490/4885FOLH1 1598/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 TSHR 459/4885BACE1 677/4885FOLH1 2193/4885

“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.