SCHEMBL1610588

SCHEMBL1610588

CC[CH]c1cc(C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 5/20 0.40
ALOX12 P18054 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 2/20 0.37
SRC P12931 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 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
SCHEMBL1610115 0.85 ALOX5 (0.42) ALOX5PTGS1PTGS2ALDH1A1TDP1
SCHEMBL1612321 0.81 ALDH1A1 (0.44) ALOX5PTGS1PTGS2ALDH1A1TDP1
SCHEMBL1611588 0.81 AMY1A (0.43) ALDH1A1TDP1LMNAALOX12CYP1A2
SCHEMBL9211398 0.80 ALOX5 (0.50) ALOX5PTGS1PTGS2ALDH1A1TDP1
SCHEMBL9211406 0.80 ALOX5 (0.50) ALOX5PTGS1PTGS2ALDH1A1TDP1
SCHEMBL1610402 0.80 ALDH1A1 (0.43) ALOX5PTGS1PTGS2ALDH1A1TDP1
SCHEMBL1610680 0.78 ALDH1A1 (0.43) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL1611849 0.78 ALDH1A1 (0.43) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL5252720 0.77 ALOX5 (0.50) ALOX5PTGS1PTGS2ALDH1A1TDP1
SCHEMBL1611334 0.75 ALOX5 (0.48) ALOX5PTGS1PTGS2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-7064139-B2 Method for treating retroviral infections UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-06-20 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ALOX5 1815/4885PTGS1 1595/4885PTGS2 1609/4885

“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.