SCHEMBL6058799

SCHEMBL6058799

COc1ccc(-c2c(Br)cc(C=O)cc2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
CYP2A6 P11509 1/20 0.55
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
ERN1 O75460 2/20 0.42
BACE1 P56817 1/20 0.42
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL2172443 0.79 ALDH1A1 (0.55) ALDH1A1CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL6058629 0.77 ALDH5A1 (0.50) ALDH1A1ERN1NPC1RAB9AHDAC3
SCHEMBL19214399 0.75 ALDH1A1 (0.86) ALDH1A1CYP2A6ERN1HDAC3HDAC4
SCHEMBL6351 0.75 ALDH1A1 (0.86) ALDH1A1CYP2A6ERN1HDAC3HDAC4
SCHEMBL20423796 0.75 ALDH1A1 (0.70) ALDH1A1CYP2A6ERN1BACE1RAB9A
SCHEMBL14667871 0.74 ALDH1A1 (0.76) ALDH1A1CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL3629871 0.73 NPC1 (0.59) ALDH1A1CYP2A6TUBB4ATUBBTUBA3C
Anisaldehyde SCHEMBL1100 0.72 ALDH1A1 (1.00) ALDH1A1CYP2A6TUBB4ATUBBTUBA3C
Anisaldehyde SCHEMBL717471 0.72 ALDH1A1 (1.00) ALDH1A1CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL6693950 0.72 ALDH1A1 (0.66) ALDH1A1CYP2A6TDP1HDAC4HDAC2

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 6 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 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 (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 ALDH1A1 381/4885CYP2A6 20/4885TUBB4A 668/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 ALDH1A1 272/4885CYP2A6 63/4885TUBB4A 3295/4885

“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.