SCHEMBL968269

SCHEMBL968269

CCC1CCc2c(CC=C(C)C)c(O)c3c(c2O1)C1C=CC3CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALPG P10696 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.32
IDO1 P14902 2/20 0.31
OPRK1 P41145 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL970035 0.80 CYP19A1 (0.41) ABCG2MEN1POLBMAPTXBP1
SCHEMBL967680 0.64 CYP19A1 (0.41) ABCG2
SCHEMBL968657 0.62 PDE9A (0.41) ABCG2MEN1POLBMAPTXBP1
SCHEMBL968258 0.62 ABCG2 (0.36) ABCG2MEN1POLBMAPTXBP1
SCHEMBL29287609 0.59 CYP1A2 (0.42) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL19659993 0.58 CYP1A2 (0.38) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL1285627 0.57 CYP19A1 (0.44) MEN1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL5869193 0.55 ALOX5 (0.45) MEN1MAPTKMT2A
SCHEMBL6386430 0.55 CYP19A1 (0.44) MEN1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL11178136 0.53 MAOB (0.53) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875607-B2 Neurodegenerative disorders; antiinflammatory agents; antiischemic agents; neuropathic pain; antiepileptic agents; Parkinson's disease; Alzheimer's disease; antidiabetic agents; 3-(6-Hydroxy-2-methyl-3,4,7,8,9,10-hexahydro-7,10-methano-2H -benzo[h]chromen-2-yl)-propionic acid methyl ester AMPERE LIFE SCIENCES, INC. (US) 2011-01-25 US disclosed
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES EDISON PHARMACEUTICALS, INC. (US) 2009-07-02 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-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS ABCG2 518/4885MEN1 3900/4885POLB 1012/4885

“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.