SCHEMBL9751601

SCHEMBL9751601

CCOC(=O)CC(=O)CSc1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CASP1 P29466 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HDAC3 O15379 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
SCHEMBL1722192 0.88 MEN1 (0.54) HSD17B10GAAHPGDKDM4EALDH1A1
SCHEMBL7429124 0.88 SMN1; SMN2 (0.53) HSD17B10GAAHPGDKDM4EALDH1A1
SCHEMBL28571148 0.88 HSD17B10 (0.55) HSD17B10GAAHPGDKDM4EALDH1A1
SCHEMBL6421307 0.87 ALDH1A1 (0.54) HSD17B10GAAHPGDKDM4EALDH1A1
SCHEMBL3162185 0.86 L3MBTL1 (0.60) HPGDALDH1A1POLBCYP1A2CYP3A4
SCHEMBL19630686 0.86 KMT2A (0.58) HSD17B10GAAHPGDKDM4EALDH1A1
SCHEMBL10366553 0.84 NCOA1 (0.52) HSD17B10GAAHPGDKDM4EALDH1A1
SCHEMBL9751598 0.79 HSD17B10 (0.58) HSD17B10GAAHPGDKDM4EALDH1A1
SCHEMBL15341171 0.79 KMT2A (0.51) HPGDALDH1A1POLBCYP1A2CYP3A4
Malonic Acid Diethyl Ester SCHEMBL8399632 0.78 GAA (0.71) HSD17B10GAAALDH1A1POLBCYP1A2

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-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 US disclosed
US-9809556-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2017-11-07 US disclosed
EP-0422119-A4 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR 1991-11-13 EP disclosed
EP-0422119-A1 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR NEUREX CORPORATION (US) 1991-04-17 EP disclosed
WO-1989012447-A1 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR NEUREX CORPORATION (US) 1989-12-28 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 (3 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-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 HSD17B10 1189/4885GAA 4700/4885HPGD 1734/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 HSD17B10 1565/4885GAA 4613/4885HPGD 2457/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 HSD17B10 1189/4885GAA 4700/4885HPGD 1734/4885

“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.