SCHEMBL17816101

SCHEMBL17816101

CC(F)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.74
LMNA P02545 2/20 0.74
MAPT P10636 2/20 0.74
RECQL P46063 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
STS P08842 11/20 0.70
CA1 P00915 3/20 0.69
CA2 P00918 3/20 0.69
CA9 Q16790 3/20 0.69
KDM4E B2RXH2 2/20 0.69
ESR1 P03372 2/20 0.69
ESR2 Q92731 2/20 0.69
ABCC4 O15439 1/20 0.69
CYP2C9 P11712 1/20 0.69
ABCC1 P33527 1/20 0.69
SLCO1B1 Q9Y6L6 1/20 0.69
CA4 P22748 1/20 0.69
CA6 P23280 1/20 0.69
ALDH1A1 P00352 1/20 0.68
CYP3A4 P08684 3/20 0.66

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
SCHEMBL19850508 1.00 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL15865387 0.93 HSD17B1 (0.76) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL19844427 0.88 MAPT (0.57) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL19844430 0.88 MAPT (0.57) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL17980840 0.88 KDM4E (0.72) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6684274 0.87 HSD17B1 (0.84) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL959954 0.85 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL15308964 0.85 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4570835 0.85 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL18658723 0.85 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-04-13 US disclosed
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVESITY (US) 2020-01-28 US disclosed
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-02-08 US disclosed
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-02-08 US disclosed
WO-2016130549-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-08-18 WO disclosed
WO-2016130549-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-08-18 WO disclosed
US-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-06-09 US disclosed
US-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-06-09 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 (4 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-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 HSD17B1 3521/4885LMNA 3051/4885MAPT 1505/4885
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 HSD17B1 3521/4885LMNA 3051/4885MAPT 1505/4885
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 HSD17B1 3521/4885LMNA 3051/4885MAPT 1505/4885
US-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 HSD17B1 3521/4885LMNA 3051/4885MAPT 1505/4885

“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.