SCHEMBL1609490

SCHEMBL1609490

CCC[CH]c1ccc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
PDE5A O76074 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
NQO2 P16083 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1610292 0.88 PDE5A (0.44) AMY1ATDP1TP53PDE5AMAPT
SCHEMBL1611182 0.86 PDE5A (0.40) AMY1ATDP1TP53PDE5AMAPT
SCHEMBL1611671 0.85 PDE5A (0.39) AMY1APDE5AMAPTLMNARAB9A
SCHEMBL1609536 0.85 PDE5A (0.39) AMY1APDE5AMAPTLMNARAB9A
SCHEMBL1611588 0.85 AMY1A (0.43) AMY1ATDP1TP53MAPTLMNA
SCHEMBL1610115 0.83 ALOX5 (0.42) TDP1TP53PDE5AMAPTLMNA
SCHEMBL11649616 0.82 AMY1A (0.39) AMY1ATDP1TP53MAPTLMNA
SCHEMBL457253 0.80 PDE5A (0.48) AMY1ATDP1TP53PDE5AMAPT
SCHEMBL5536028 0.77 PYCR1 (0.39) AMY1ATDP1TP53MAPTLMNA
SCHEMBL5480187 0.77 AMY1A (0.36) AMY1ATDP1TP53PDE5AMAPT

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 AMY1A 841/4885TDP1 3467/4885TP53 4315/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 AMY1A 841/4885TDP1 3467/4885TP53 4315/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 AMY1A 3328/4885TDP1 2129/4885TP53 1684/4885

“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.