SCHEMBL4598002

SCHEMBL4598002

C=C(C)C(=O)OC1CC2CC(C1C)C2(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.49
CYP17A1 P05093 8/20 0.49
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
SIGMAR1 Q99720 1/20 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
SCHEMBL17213209 1.00 CYP19A1 (0.49) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL20349637 0.88 CYP19A1 (0.39) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL11195088 0.83 CYP19A1 (0.53) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL13486938 0.79 RET (0.32) CYP19A1CYP17A1
SCHEMBL1439686 0.79 CYP19A1 (0.50) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL23633732 0.78 ALDH1A1 (0.31) CYP19A1CYP17A1
SCHEMBL4597731 0.78 CYP19A1 (0.49) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL17213197 0.78 CYP19A1 (0.49) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL23633727 0.78 ALDH1A1 (0.32)
SCHEMBL9065373 0.77 CYP19A1 (0.39) CYP19A1CYP17A1SCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059528-B1 POLYSILOXANE WITH POLYCYCLIC MODIFIER COMPOSITION AND BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 1986-04-16 EP claimed
US-20170044282-A1 TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS THE UNIVERSITY OF NOTTINGHAM (GB) 2017-02-16 US disclosed
EP-1877856-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES Bausch & Lomb Incorporated (US) 2008-01-16 EP disclosed
US-20070159594-A9 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2007-07-12 US disclosed
WO-2006119328-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES BAUSCH & LOMB INCORPORATED (US) 2006-11-09 WO disclosed
US-20050254003-A1 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2005-11-17 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-20170044282-A1 TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS GGPS1, DHPS, FDPS CYP19A1 99/4885CYP17A1 16/4885SCN1A 4782/4885

“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.