SCHEMBL1609682

SCHEMBL1609682

CCCCC[CH]c1ccc(CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.38
TNNC1 P63316 1/20 0.38
IGF1R P08069 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
TP53 P04637 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 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
SCHEMBL1611201 0.98 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL1610247 0.98 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL1611354 0.94 ALDH1A1 (0.46) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL1609494 0.86 ESR1 (0.52) ALDH1A1LMNAPTGS1PTGS2TP53
SCHEMBL1610146 0.86 TNNC1 (0.43) ALDH1A1LMNAPTGS1PTGS2TNNC1
SCHEMBL1610193 0.86 ALDH1A1 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2PTGS1
SCHEMBL1610150 0.85 ALDH1A1 (0.44) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL1611898 0.84 ESR1 (0.55) ALDH1A1LMNAPTGS1PTGS2TP53
SCHEMBL1610153 0.84 ESR1 (0.55) ALDH1A1LMNAPTGS1PTGS2TP53
SCHEMBL1610165 0.84 ESR1 (0.55) ALDH1A1LMNAPTGS1PTGS2TP53

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-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

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 ALDH1A1 137/4885LMNA 4544/4885HPGD 2728/4885

“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.