SCHEMBL7038970

SCHEMBL7038970

COc1cc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(=O)O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.46
▸ MRGPRX4 Q96LA9 4/20 0.43
▸ SRD5A1 P18405 1/20 0.43
▸ IDO1 P14902 6/20 0.42
▸ TDO2 P48775 5/20 0.42
▸ RHEB Q15382 2/20 0.41
▸ S1PR1 P21453 1/20 0.39
▸ F2RL3 Q96RI0 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ RXRA P19793 1/20 0.38

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
SCHEMBL7193638 0.90 ULK1 (0.48) SRD5A2MRGPRX4IDO1S1PR1F2RL3
SCHEMBL7033125 0.85 S1PR1 (0.38) MRGPRX4IDO1S1PR1F2RL3RXRA
SCHEMBL7197823 0.83 SRD5A2 (0.67) SRD5A2MRGPRX4SRD5A1IDO1TDO2
SCHEMBL5701900 0.79 SRD5A2 (0.70) SRD5A2MRGPRX4SRD5A1
SCHEMBL30396959 0.77 KDM4E (0.49) SRD5A2SRD5A1IDO1TDO2RHEB
SCHEMBL1144683 0.77 IDO1 (0.55) IDO1TDO2RHEBHDAC3HDAC4
SCHEMBL6448130 0.75 RHEB (0.52) IDO1TDO2RHEB
SCHEMBL31215311 0.75 MRGPRX4 (0.47) SRD5A2MRGPRX4IDO1TDO2RHEB
SCHEMBL7194638 0.74 SRD5A2 (0.55) SRD5A2SRD5A1IDO1HDAC1HDAC8
SCHEMBL30169467 0.74 SRD5A2 (0.72) SRD5A2SRD5A1IDO1TDO2RHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964852-B1 INDOLECARBOXYLIC COMPOUNDS AND THEIR USE AS PHARMACEUTICAL COMPOUNDS OREAL (FR) 2003-03-12 — — EP claimed
US-6596753-B2 Effective amount of at least one compound of the indolecarboxylic family, this compound or these compositions being intended to treat disorders associated with overactivity of 5 alpha -reductase. These compositions treat androgen SOCIETE L'OREAL S.A. (FR) 2003-07-22 — — US disclosed
US-20030050325-A1 Novel compounds of the indolecarboxylic family and use thereof BERNARD BRUNO (FR) 2003-03-13 — — US disclosed
US-6448285-B1 DISORDERS ASSOCIATED WITH OVERACTIVITY OF 5 ALPHA REDUCTASE; ANDROGEN DEPENDENT DISORDERS SUCH AS SEBORRHOEA, ACNE, HIRSUTISM AND/OR ANDROGENIC ALOPECIA SOCIETE L'OREAL S.A. (FR) 2002-09-10 — — 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 (1 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-20030050325-A1 Novel compounds of the indolecarboxylic family and use thereof CYP17A1, SRD5A1, SRD5A2 SRD5A2 3/4885MRGPRX4 2673/4885SRD5A1 2/4885

“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.

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