SCHEMBL17891657

SCHEMBL17891657

C[C@]1(/C=C/F)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.77
▸ RXRB P28702 1/20 0.77
▸ RXRG P48443 1/20 0.77
▸ HSD17B10 Q99714 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ PDK1 Q15118 2/20 0.48
▸ PDK2 Q15119 2/20 0.48
▸ PDK3 Q15120 2/20 0.48
▸ PDK4 Q16654 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SLCO1B3 Q9NPD5 1/20 0.48
▸ SLCO1B1 Q9Y6L6 1/20 0.48
▸ GABRA1 P14867 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL17891641 1.00 RXRA (0.77) RXRARXRBRXRGHSD17B10CYP2C9
SCHEMBL17891642 1.00 RXRA (0.77) RXRARXRBRXRGHSD17B10CYP2C9
SCHEMBL17742302 0.89 RXRA (0.60) RXRARXRBRXRGHSD17B10CYP2C9
SCHEMBL17742300 0.89 RXRA (0.60) RXRARXRBRXRGHSD17B10CYP2C9
Isopimaric Acid SCHEMBL234276 0.87 RXRA (1.00) RXRARXRBRXRGHSD17B10CYP2C9
Isopimaric Acid SCHEMBL15744757 0.87 RXRA (1.00) RXRARXRBRXRGHSD17B10CYP2C9
Isopimaric Acid SCHEMBL15339339 0.87 RXRA (1.00) RXRARXRBRXRGHSD17B10CYP2C9
Isopimaric Acid SCHEMBL12732275 0.87 RXRA (1.00) RXRARXRBRXRGHSD17B10CYP2C9
Isopimaric Acid SCHEMBL4549113 0.87 RXRA (1.00) RXRARXRBRXRGHSD17B10CYP2C9
Isopimaric Acid SCHEMBL15744755 0.87 RXRA (1.00) RXRARXRBRXRGHSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH 2018-05-10 — — US disclosed
US-9850268-B2 Metathesis catalysts and methods thereof TRUSTEES OF BOSTON COLLEGE (US) 2017-12-26 — — US disclosed
US-20160194343-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-07-07 — — 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 (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-20160194343-A1 METATHESIS CATALYSTS AND METHODS THEREOF INF2, AFF2, KRAS RXRA 785/4885RXRB 589/4885RXRG 898/4885
US-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF INF2, AFF2, KRAS RXRA 785/4885RXRB 589/4885RXRG 898/4885

“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.

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