SCHEMBL2532136

SCHEMBL2532136

Oc1c(-c2cc(F)c(F)c(F)c2)cccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
AKR1C3 P42330 1/20 0.40
RPS6KA3 P51812 5/20 0.40
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
ERN1 O75460 2/20 0.38
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
VRK1 Q99986 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
F7 P08709 1/20 0.35
PRSS3 P35030 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL28443593 0.81 ALDH1A1 (0.41) ARHSD17B1HSD17B2KDM4EMEN1
SCHEMBL17840122 0.80 FEN1 (0.42) ARAKR1C3RPS6KA3MAOB
SCHEMBL2530485 0.80 HSD17B1 (0.49) AKR1C3RPS6KA3HSD17B1HSD17B2AKR1C2
SCHEMBL31589709 0.80 ALDH1A1 (0.54) ARAKR1C3RPS6KA3HSD17B1HSD17B2
SCHEMBL2132813 0.78 FEN1 (0.41) ARAKR1C3RPS6KA3
SCHEMBL2132817 0.77 RPS6KA3 (0.40) AKR1C3RPS6KA3AKR1C2AKR1C1MEN1
SCHEMBL13439489 0.76 PTPRC (0.48) ERN1KDM4EMEN1ALDH1A1MAPT
SCHEMBL30665737 0.76 PTPRC (0.48) ERN1KDM4EMEN1ALDH1A1MAPT
SCHEMBL1252515 0.74 ERN1 (0.36) ARAKR1C3RPS6KA3ERN1
SCHEMBL16355406 0.73 MAOA (0.36) ERN1HSD17B14KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102329332-B Organo-aluminum compound TAKAMASAGO PERFUME INDUSTRIAL CO., LTD. (JP) 2016-05-04 CN disclosed
US-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-11-19 US disclosed
EP-2921228-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2015-09-23 EP disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
EP-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2013-10-09 EP disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
US-8329931-B2 Organoaluminum compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-12-11 US disclosed
US-20110295031-A1 ORGANOALUMINUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-12-01 US disclosed
EP-2390001-A1 Organoaluminium compounds and their use as catalysts in the selective cyclisation of citronellal to isopulegol Takasago International Corporation (JP) 2011-11-30 EP disclosed
US-20110256013-A1 METHOD FOR PRODUCING REGENERATED TARGET TANAKA HOLDINGS CO., LTD. (JP) 2011-10-20 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 (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-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL ACSL3, ACSL6, ALOX5 AR 57/4885AKR1C3 267/4885RPS6KA3 2926/4885
US-20110295031-A1 ORGANOALUMINUM COMPOUND CDC5L, ACSL3, MSMO1 AR 1009/4885AKR1C3 87/4885RPS6KA3 4622/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 AR 3987/4885AKR1C3 286/4885RPS6KA3 2287/4885

“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.