SCHEMBL12700211

SCHEMBL12700211

COC(=O)c1ccccc1C(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.67
▸ HPGD P15428 2/20 0.62
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ MAPT P10636 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ TDP1 Q9NUW8 2/20 0.58
▸ METAP2 P50579 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ CHRNB2 P17787 1/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA3 P32297 1/20 0.56
▸ CHRNA4 P43681 1/20 0.56

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
SCHEMBL12614484 0.90 PTPN1 (0.63) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL25148550 0.88 CYP3A4 (0.70) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL437231 0.86 ALDH1A1 (0.87) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL22820037 0.85 HPGD (0.54) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL3189478 0.84 KMT2A (0.54) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL11266257 0.84 ALDH1A1 (0.83) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL11266259 0.84 ALDH1A1 (0.83) ALDH1A1HPGDKMT2AMEN1LMNA
Dimethyl Phthalate SCHEMBL27438615 0.84 TSHR (0.71) ALDH1A1KMT2ALMNAHSD17B10KDM4E
SCHEMBL15482282 0.84 HDAC8 (0.58) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL12700214 0.82 KMT2A (0.52) ALDH1A1KMT2AMEN1LMNAKDM4E

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
US-10166237-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 — — US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 — — US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 — — US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 — — US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 — — US disclosed
WO-2012129562-A2 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-27 — — WO 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-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 ALDH1A1 63/4885HPGD 778/4885KMT2A 3000/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 ALDH1A1 63/4885HPGD 778/4885KMT2A 3000/4885

“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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