SCHEMBL1611058

SCHEMBL1611058

[CH]=CCc1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.44
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNF P01375 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
HBB P68871 1/20 0.36
NPC1 O15118 1/20 0.36
SRC P12931 1/20 0.34

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
SCHEMBL1609401 0.83 TAAR1 (0.50) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL1610182 0.79 PYCR1 (0.42) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL2561411 0.78 SRC (0.42) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL10899219 0.78 GAA (0.44) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL31176234 0.78 SRC (0.42) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL5837446 0.77 TAAR1 (0.44) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL1610740 0.76 PYCR1 (0.40) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL1610184 0.75 PYCR1 (0.39) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL1610601 0.75 PYCR1 (0.39) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL776054 0.75 TAAR1 (0.45) PYCR1ALDH1A1KDM4ETDP1TP53

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 7 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-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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 PYCR1 1495/4885ALDH1A1 137/4885KDM4E 1272/4885

“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.