SCHEMBL20176826

SCHEMBL20176826

COC(=O)c1cocc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
CFTR P13569 1/20 0.39
KDM4E B2RXH2 7/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ATM Q13315 2/20 0.38
POLB P06746 2/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 3/20 0.36

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
SCHEMBL69871 0.91 TSHR (0.46) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL201394 0.83 TSHR (0.41) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL9148724 0.80 MAPT (0.48) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL16289486 0.78 ALDH1A1 (0.41) TSHRLMNAALDH1A1HSD17B10CFTR
Cyclopropane SCHEMBL11656968 0.78 KDM4E (0.38) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL28737064 0.78 TSHR (0.52) TSHRLMNAALDH1A1HSD17B10KDM4E
SCHEMBL20176830 0.78 TSHR (0.52) TSHRLMNAALDH1A1HSD17B10KDM4E
SCHEMBL12906690 0.77 ALDH1A1 (0.52) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL31325743 0.77 SOS1 (0.41) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL12906724 0.77 CFTR (0.40) TSHRLMNAALDH1A1HSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180140525-A1 AGENT FOR STABILIZING KERATIN FIBERS WITH 5-RING HETEROCYCLES HENKEL AG & CO. KGAA (DE) 2018-05-24 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 (1 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-20180140525-A1 AGENT FOR STABILIZING KERATIN FIBERS WITH 5-RING HETEROCYCLES KRT18, NDUFS5, NDUFA5 TSHR 3687/4885LMNA 2639/4885ALDH1A1 992/4885

“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.