SCHEMBL1610150

SCHEMBL1610150

CCC[CH]c1ccc(CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
TP53 P04637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
IGF1R P08069 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
CYP2A6 P11509 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
MAOA P21397 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5358981 0.87 ALDH1A1 (0.37) ALDH1A1CYP2A6KMT2ATSHR
SCHEMBL1611354 0.86 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL1609682 0.85 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL1610001 0.84 LPL (0.43) ALDH1A1MAPTLPLLIPGKDM4E
SCHEMBL1610247 0.83 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL1611201 0.83 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL1612299 0.82 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL1610419 0.80 GRIN2D (0.47) ALDH1A1HPGDSMN1; SMN2LMNAPTGS1
SCHEMBL9270485 0.79 PTGS1 (0.39) ALDH1A1SMN1; SMN2LMNAALOX5PTGS1
SCHEMBL1610824 0.79 ESR1 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
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 (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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885HPGD 276/4885SMN1; SMN2 3268/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885HPGD 276/4885SMN1; SMN2 3268/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ALDH1A1 137/4885HPGD 2728/4885SMN1; SMN2 3123/4885

“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.