SCHEMBL1753767

SCHEMBL1753767

CB(C)c1cc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 2/20 0.39
TP53 P04637 3/20 0.39
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 2/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL7629029 0.81 TDP1 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL29349417 0.79 CA2 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL513136 0.79 CA2 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL9945891 0.79 TDP1 (0.44) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL4945008 0.77 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL12394515 0.75 TRPA1 (0.54) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL9945889 0.75 NISCH (0.38) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL9946002 0.72 LMNA (0.54) ALDH1A1LMNAGAAACHESMN1; SMN2
SCHEMBL3788479 0.70 ALDH1A1 (0.41) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL13476259 0.70 TDP1 (0.54) TDP1ALDH1A1CYP1A2CYP2A6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-8163727-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8008350-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-7737135-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-20090036535-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2009-02-05 US disclosed
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-06-05 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 (4 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TDP1 3577/4885ALDH1A1 4010/4885CYP1A2 2891/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 TDP1 3295/4885ALDH1A1 42/4885CYP1A2 17/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 TDP1 3295/4885ALDH1A1 42/4885CYP1A2 17/4885
US-20090036535-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD TDP1 4133/4885ALDH1A1 224/4885CYP1A2 91/4885

“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.