SCHEMBL11886589

SCHEMBL11886589

Cc1cc(=O)oc2cc(OC#N)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.68
▸ KDM4E B2RXH2 11/20 0.68
▸ GAA P10253 8/20 0.68
▸ HSD17B10 Q99714 7/20 0.68
▸ GLA P06280 7/20 0.68
▸ HPGD P15428 6/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ ALDH2 P05091 2/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ TSHR P16473 1/20 0.60
▸ CA2 P00918 1/20 0.59
▸ STS P08842 1/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ MAPT P10636 2/20 0.58
▸ NPBWR1 P48145 1/20 0.58
▸ MAOB P27338 4/20 0.56
▸ MAOA P21397 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ CASP3 P42574 2/20 0.56
▸ RAB9A P51151 2/20 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
SCHEMBL7046774 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EGAAHSD17B10GLA
Hymecromone Methyl Ether SCHEMBL31103478 0.81 KDM4E (1.00) ALDH1A1KDM4EGAAHSD17B10GLA
Hymecromone Methyl Ether SCHEMBL314248 0.81 KDM4E (1.00) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL31281633 0.80 KDM4E (1.00) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL14176760 0.80 KDM4E (1.00) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL3757479 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL335474 0.79 KDM4E (1.00) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL29651337 0.79 KDM4E (1.00) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL15842390 0.78 ALDH1A1 (0.71) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL12986857 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EGAAHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138729-A1 Coumarin Derivatives of Sugar Analogs and Uses Thereof Rubedo Life Sciences, Inc. 2023-05-04 — — US disclosed
US-11584752-B2 Method for controlled release using mechanical force CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-02-21 — — US disclosed
US-20170368188-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2017-12-28 — — US disclosed
US-20170202974-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC MEDSHINE DISCOVERY INC. (CN) 2017-07-20 — — US disclosed
US-20150011512-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2015-01-08 — — US disclosed
US-20120302748-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2012-11-29 — — US disclosed
US-20120190639-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2012-07-26 — — 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 (7 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-20230138729-A1 Coumarin Derivatives of Sugar Analogs and Uses Thereof GLA, ENGASE, GLB1 ALDH1A1 706/4885KDM4E 1803/4885GAA 19/4885
US-20120302748-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS BRCA1, CYP1B1, UGT1A1 ALDH1A1 35/4885KDM4E 4346/4885GAA 980/4885
US-20120190639-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 ALDH1A1 55/4885KDM4E 3646/4885GAA 1092/4885
US-20170202974-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC DNPEP, DPP7, DPP3 ALDH1A1 400/4885KDM4E 1505/4885GAA 6/4885
US-11584752-B2 Method for controlled release using mechanical force DYNLL2, PARP12, RUVBL2 ALDH1A1 2079/4885KDM4E 3001/4885GAA 4343/4885
US-20170368188-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 ALDH1A1 61/4885KDM4E 3979/4885GAA 1038/4885
US-20150011512-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 ALDH1A1 55/4885KDM4E 3646/4885GAA 1092/4885

“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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