SCHEMBL1996190

SCHEMBL1996190

CCCC(CCBr)CCBr

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL15075502 1.00 CA12 (0.32) CA12CA1CA2CA7CA14
SCHEMBL15424092 0.89 ALDH1A1 (0.42) CA2ALDH1A1TSHR
SCHEMBL3925816 0.88
SCHEMBL18249518 0.88
SCHEMBL13159634 0.82 TSHR (0.36) TSHR
SCHEMBL215109 0.82 CA12 (0.39) CA12CA1CA2CA7CA14
SCHEMBL1976929 0.81 ALDH1A1 (0.46) CA2ALDH1A1TSHR
SCHEMBL4710785 0.81 ALDH1A1 (0.35) CA12CA1CA2CA7CA14
SCHEMBL18107268 0.79 LMNA (0.50) ALDH1A1TSHR
SCHEMBL1995540 0.79 LMNA (0.50) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104418820-A Carboxylic acid derivative as lysophosphatidic acid receptor antagonist KBP BIOSCIENCES CO LTD 2015-03-18 CN disclosed
US-8709280-B2 Polar nematic compounds VANDERBILT UNIVERSITY (US) 2014-04-29 US disclosed
US-8696933-B2 Polar nematic compounds VANDERBILT UNIVERSITY (US) 2014-04-15 US disclosed
US-20120248373-A1 POLAR NEMATIC COMPOUNDS VANDERBILT UNIVERSITY 2012-10-04 US disclosed
US-20120205582-A1 POLAR NEMATIC COMPOUNDS VANDERBILT UNIVERSITY 2012-08-16 US disclosed
US-8168084-B2 Polar nematic compounds VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-20110147655-A1 POLAR NEMATIC COMPOUNDS NATIONAL SCIENCE FOUNDATION 2011-06-23 US disclosed
US-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed
EP-0154849-B1 CYCLOHEXANE DERIVATIVES MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed
EP-0154849-A2 Cyclohexane derivatives MERCK PATENT GmbH (DE) 1985-09-18 EP 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 (3 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-20120205582-A1 POLAR NEMATIC COMPOUNDS BCOR, LATS1, LATS2 CA12 1902/4885CA1 1405/4885CA2 1440/4885
US-20120248373-A1 POLAR NEMATIC COMPOUNDS LATS2, CCNH, CRY1 CA12 2868/4885CA1 2522/4885CA2 2747/4885
US-20110147655-A1 POLAR NEMATIC COMPOUNDS BCOR, LATS1, LATS2 CA12 1902/4885CA1 1405/4885CA2 1440/4885

“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.