SCHEMBL9985591

SCHEMBL9985591

CC1(C)CCC(C)(C)c2cc3c(cc21)CC=C3CCBr

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.36
NQO2 P16083 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL9985162 0.81 HTR7 (0.40) HTR7NQO2MTNR1AMTNR1BRXRA
SCHEMBL4970470 0.71 RXRA (0.31) RXRARXRBRXRG
SCHEMBL12043859 0.71 NQO2 (0.36) HTR7NQO2MTNR1AMTNR1B
SCHEMBL6909595 0.69 RXRA (0.61) RXRARXRBRXRG
SCHEMBL8158082 0.69 RARB (0.40) RXRARXRBRXRG
SCHEMBL29401105 0.67 RXRA (0.41) RXRARXRBRXRG
SCHEMBL5009416 0.67 RXRA (0.41) RXRARXRBRXRG
Lithium SCHEMBL29602414 0.66 RXRA (0.40) RXRARXRBRXRG
SCHEMBL11240978 0.65 CYP26B1 (0.51) RXRARXRBRXRG
SCHEMBL8450973 0.64 MPO (0.33) RXRARXRBRXRG

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-8383848-B2 Transition metal compound and catalyst for olefin polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-26 US disclosed
US-20110319578-A1 TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-29 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-20110319578-A1 TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION AP1M1, SOD1, YAP1 HTR7 4438/4885NQO2 4666/4885MTNR1A 4031/4885

“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.