SCHEMBL19403380

SCHEMBL19403380

COc1ccccc1SCC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
POLB P06746 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.40
PTGS2 P35354 4/20 0.40
ATM Q13315 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL3892022 0.81 HSD17B10 (0.53) POLBHSD17B10KMT2AALDH1A1LMNA
SCHEMBL19403373 0.81 MAPT (0.47) POLBHSD17B10KMT2AATMKDM4E
SCHEMBL19403427 0.80 POLB (0.48) POLBHSD17B10KMT2AKDM4EALDH1A1
SCHEMBL7422929 0.80 GLA (0.56) MTNR1AMTNR1BPOLBHSD17B10KMT2A
SCHEMBL29812367 0.80 POLB (0.48) POLBHSD17B10KMT2AKDM4EALDH1A1
SCHEMBL11654572 0.80 EPHX2 (0.50) MTNR1AMTNR1BPOLBHSD17B10KMT2A
SCHEMBL806075 0.79 MTNR1A (0.60) MTNR1AMTNR1BPOLBHSD17B10PTGS2
SCHEMBL7419329 0.79 MTNR1A (0.56) MTNR1AMTNR1BPOLBHSD17B10PTGS2
SCHEMBL2407025 0.79 CYP1A2 (0.61) POLBHSD17B10KMT2AALDH1A1LMNA
SCHEMBL19403441 0.78 HSD17B10 (0.42) POLBHSD17B10KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 US disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 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 (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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 MTNR1A 2697/4885MTNR1B 2600/4885POLB 275/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 MTNR1A 2775/4885MTNR1B 2580/4885POLB 278/4885

“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.