SCHEMBL19403441

SCHEMBL19403441

CC(C)(C)OC(=O)CSc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 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
SCHEMBL28702281 0.81 ALDH1A1 (0.63) HSD17B10POLBALDH1A1HPGDKDM4E
SCHEMBL19403373 0.80 MAPT (0.47) HSD17B10POLBALDH1A1HPGDKDM4E
SCHEMBL3892022 0.80 HSD17B10 (0.53) HSD17B10POLBALDH1A1HPGDLMNA
SCHEMBL19403427 0.79 POLB (0.48) HSD17B10POLBALDH1A1HPGDKDM4E
SCHEMBL29812367 0.79 POLB (0.48) HSD17B10POLBALDH1A1HPGDKDM4E
SCHEMBL2407025 0.78 CYP1A2 (0.61) HSD17B10POLBALDH1A1LMNAMEN1
SCHEMBL19403380 0.78 MTNR1A (0.50) HSD17B10POLBALDH1A1HPGDKDM4E
SCHEMBL8054938 0.77 HDAC3 (0.44) HSD17B10POLBALDH1A1HPGDKDM4E
SCHEMBL3077714 0.76 MEN1 (0.61) HSD17B10POLBALDH1A1HPGDKDM4E
SCHEMBL7867128 0.74 FFAR1 (0.55) HSD17B10ALDH1A1HPGDHTTMEN1

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 HSD17B10 663/4885POLB 275/4885ALDH1A1 1230/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 HSD17B10 705/4885POLB 278/4885ALDH1A1 1492/4885

“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.