SCHEMBL16088682

SCHEMBL16088682

C=C(C)c1ccc(CNC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.74
▸ KMT2A Q03164 4/20 0.69
▸ CYP1A2 P05177 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ HTT P42858 1/20 0.54
▸ USP2 O75604 1/20 0.53
▸ HPGD P15428 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC6 Q9UBN7 3/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ GAA P10253 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ MAPK14 Q16539 1/20 0.49

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
SCHEMBL16088690 0.88 APEX1 (0.79) APEX1KMT2ACYP1A2CYP2C19HTT
SCHEMBL12700348 0.86 APEX1 (0.87) APEX1KMT2ACYP1A2CYP2C19HTT
SCHEMBL7823453 0.85 APEX1 (0.84) APEX1KMT2ACYP1A2CYP2C19HTT
SCHEMBL8635709 0.83 KMT2A (1.00) APEX1KMT2ACYP1A2CYP2C19HTT
SCHEMBL1984940 0.83 KMT2A (1.00) APEX1KMT2ACYP1A2CYP2C19HTT
SCHEMBL16088749 0.82 APEX1 (0.69) APEX1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL16127957 0.82 APEX1 (0.79) APEX1KMT2ACYP1A2CYP2C19HTT
SCHEMBL16088683 0.82 APEX1 (0.79) APEX1KMT2ACYP1A2CYP2C19HTT
SCHEMBL23864533 0.80 HPGD (0.51) APEX1KMT2AHPGDALDH1A1KDM4E
SCHEMBL16088685 0.80 APEX1 (0.74) APEX1KMT2ACYP1A2CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 — — US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 — — US disclosed
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-18 — — 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-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 APEX1 3897/4885KMT2A 3871/4885CYP1A2 3874/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 APEX1 3897/4885KMT2A 3871/4885CYP1A2 3874/4885

“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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