SCHEMBL1453565

SCHEMBL1453565

CC1=Cc2c(cc3ccccc3c2Br)C1C(C)(C)C1C(C)=Cc2c1cc1ccccc1c2Br

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
POLB P06746 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
SCHEMBL1453161 0.92
SCHEMBL1453787 0.91
SCHEMBL1451763 0.84
SCHEMBL1451908 0.81
SCHEMBL1453108 0.78
SCHEMBL1453080 0.78 CYP1A2 (0.33) CYP1A2CYP2A6POLB
Hydrochloric Acid SCHEMBL3208040 0.78 CYP1A2 (0.33) CYP1A2CYP2A6POLB
SCHEMBL1453145 0.78 CYP1A2 (0.33) CYP1A2CYP2A6POLB
SCHEMBL1453323 0.77 CYP1A2 (0.32) CYP1A2CYP2A6POLB
SCHEMBL7035225 0.75 KDM4E (0.40) CYP1A2CYP2A6

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-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 CYP1A2 1643/4885CYP2A6 1983/4885POLB 3431/4885

“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.