SCHEMBL15865387

SCHEMBL15865387

C[C@]12CC[C@@H]3c4ccc(OC(F)F)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.76
LMNA P02545 2/20 0.76
MAPT P10636 2/20 0.76
RECQL P46063 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
STS P08842 11/20 0.72
CA1 P00915 3/20 0.70
CA2 P00918 3/20 0.70
CA9 Q16790 3/20 0.70
KDM4E B2RXH2 2/20 0.70
ESR1 P03372 2/20 0.70
ESR2 Q92731 2/20 0.70
ABCC4 O15439 1/20 0.70
CYP2C9 P11712 1/20 0.70
ABCC1 P33527 1/20 0.70
SLCO1B1 Q9Y6L6 1/20 0.70
CA4 P22748 1/20 0.70
CA6 P23280 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP3A4 P08684 3/20 0.67

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
SCHEMBL17816101 0.93 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL19850508 0.93 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6684274 0.88 HSD17B1 (0.84) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10120324 0.87 LMNA (0.76) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL2720966 0.87 LMNA (0.76) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL18658723 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL15308964 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4570835 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL959954 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5677806 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2

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-20150336866-A1 SYNTHESIS OF DIFLUOROMETHYL ETHERS AND SULFIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-11-26 US disclosed
US-20150336866-A1 SYNTHESIS OF DIFLUOROMETHYL ETHERS AND SULFIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-11-26 US disclosed
WO-2014107380-A1 SYNTHESIS OF DIFLUOROMETHYL ETHERS AND SULFIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-10 WO disclosed
WO-2014107380-A1 SYNTHESIS OF DIFLUOROMETHYL ETHERS AND SULFIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-10 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 (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-20150336866-A1 SYNTHESIS OF DIFLUOROMETHYL ETHERS AND SULFIDES DDT, ABL1, TYR HSD17B1 2655/4885LMNA 4225/4885MAPT 3810/4885

“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.