SCHEMBL224343

SCHEMBL224343

CCOC(=O)c1ccc2c(c1)[C@H](O)C[C@H](C)N2C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.46
BRD2 P25440 7/20 0.44
BRD3 Q15059 7/20 0.44
CCL2 P13500 3/20 0.44
EP300 Q09472 1/20 0.44
BRDT Q58F21 1/20 0.44
CREBBP Q92793 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL225279 1.00 BRD4 (0.46) BRD4BRD2BRD3CCL2EP300
SCHEMBL5838215 0.82 BRD4 (0.64) BRD4BRD2BRD3EP300BRDT
SCHEMBL5838210 0.82 BRD4 (0.64) BRD4BRD2BRD3EP300BRDT
SCHEMBL5838204 0.82 BRD4 (0.64) BRD4BRD2BRD3EP300BRDT
SCHEMBL15890971 0.82 BRD4 (0.54) BRD4BRD2BRD3CCL2EP300
SCHEMBL15890930 0.82 BRD4 (0.54) BRD4BRD2BRD3CCL2EP300
SCHEMBL222991 0.82 SMN1; SMN2 (0.56) BRD4BRD2BRD3KMT2ASMN1; SMN2
SCHEMBL224530 0.80 BRD4 (0.47) BRD4BRD2BRD3KMT2ASMN1; SMN2
SCHEMBL225382 0.80 BRD4 (0.45) BRD4BRD2BRD3CCL2EP300
SCHEMBL224531 0.80 BRD4 (0.47) BRD4BRD2BRD3KMT2ASMN1; SMN2

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-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2014-09-04 US disclosed
EP-2415764-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT Kowa Company, Ltd. (JP) 2012-02-08 EP disclosed
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2012-01-05 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-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 BRD4 861/4885BRD2 1499/4885BRD3 1556/4885
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 BRD4 861/4885BRD2 1499/4885BRD3 1556/4885

“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.