SCHEMBL1610001

SCHEMBL1610001

CCC[CH]c1ccc(CCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
THRB P10828 2/20 0.41
CA2 P00918 1/20 0.41
MGLL Q99685 1/20 0.38
PLK1 P53350 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL1611413 0.87 LPL (0.41) LPLLIPGTHRBCA2ALDH1A1
SCHEMBL1610419 0.87 GRIN2D (0.47) LPLLIPGTHRBCA2PLK1
SCHEMBL1610764 0.86 LPL (0.46) LPLLIPGTHRBCA2MGLL
SCHEMBL5358981 0.85 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL1610824 0.85 ESR1 (0.52) LPLLIPGTHRBCA2MGLL
SCHEMBL1610146 0.85 TNNC1 (0.43) LPLLIPGTHRBCA2MGLL
SCHEMBL1610150 0.84 ALDH1A1 (0.44) LPLLIPGCA2ALDH1A1NPC1
SCHEMBL1610514 0.84 ESR1 (0.46) LPLLIPGTHRBMGLLALDH1A1
SCHEMBL1610258 0.84 ESR1 (0.46) LPLLIPGTHRBMGLLALDH1A1
SCHEMBL1611256 0.84 ESR1 (0.55) LPLLIPGTHRBMGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995023143-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS PFIZER LIMITED (GB) 1995-08-31 WO claimed
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
WO-1995023143-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS PFIZER LIMITED (GB) 1995-08-31 WO 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 LPL 2477/4885LIPG 3948/4885THRB 2555/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 LPL 2477/4885LIPG 3948/4885THRB 2555/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 LPL 4495/4885LIPG 4724/4885THRB 2154/4885

“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.