SCHEMBL6698482

SCHEMBL6698482

COC(=O)c1cc(Br)c(-c2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)c(SC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
PDK2 Q15119 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.33
NOTUM Q6P988 1/20 0.33
GAA P10253 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
EGFR P00533 1/20 0.32
LIPE Q05469 1/20 0.32
GABRA5 P31644 2/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL6058573 0.91 MCL1 (0.36) ABL1LIPE
SCHEMBL6860354 0.83 ABL1 (0.42) ABL1PDK2SMN1; SMN2NOTUMGAA
Ammonia Solution, Strong SCHEMBL6697477 0.82 ABL1 (0.41) ABL1PDK2SMN1; SMN2NOTUMGAA
SCHEMBL5235828 0.76 TSHR (0.46) ABL1SMN1; SMN2TSHRPOLBRAB9A
Biphenyl SCHEMBL7167410 0.73 PREP (0.40) ABL1PDK2SMN1; SMN2NOTUMTSHR
SCHEMBL6059070 0.73 MCL1 (0.35) ABL1
SCHEMBL9043929 0.72 CYP19A1 (0.44) ABL1SMN1; SMN2GAATSHRRAB9A
SCHEMBL7816710 0.71 TSHR (0.47) SMN1; SMN2TSHRTP53RAB9AMAPT
SCHEMBL6705270 0.71 PREP (0.44) ABL1PDK2NOTUMTP53RAB9A
SCHEMBL4514274 0.68 IDO1 (0.39) ABL1

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-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 (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-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents ESR2, ESR1, CYP19A1 ABL1 860/4885PDK2 2462/4885SMN1; SMN2 4082/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 ABL1 2917/4885PDK2 3348/4885SMN1; SMN2 4685/4885

“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.