SCHEMBL4964015

SCHEMBL4964015

CCCc1ccc(OC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 1/20 0.50
TSHR P16473 1/20 0.50
GRM2 Q14416 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ACACB O00763 2/20 0.46
HRH3 Q9Y5N1 6/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HRH1 P35367 1/20 0.41

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
SCHEMBL13766488 0.85 ALDH1A1 (0.53) ALDH1A1ALOX12TSHRGRM2MEN1
SCHEMBL8276621 0.84 TP53 (0.42) ALDH1A1ALOX12TSHRGRM2HRH3
SCHEMBL11941068 0.83 ALDH1A1 (0.54) ALDH1A1ALOX12TSHRGRM2MEN1
SCHEMBL27592520 0.83 HRH3 (0.47) ALDH1A1ALOX12MEN1KMT2AACACB
SCHEMBL20365507 0.82 ALDH1A1 (0.50) ALDH1A1ALOX12TSHRGRM2ACACB
SCHEMBL2242868 0.80 PARP10 (0.55) ALDH1A1ALOX12TSHRGRM2HRH3
SCHEMBL18715290 0.79 ALDH1A1 (0.50) ALDH1A1ALOX12TSHRGRM2MEN1
SCHEMBL8497080 0.79 ALDH1A1 (0.71) ALDH1A1ALOX12TSHRGRM2MEN1
SCHEMBL7102647 0.79 KMT2A (0.55) ALDH1A1TSHRMEN1KMT2AHRH3
SCHEMBL2298560 0.79 TP53 (0.40) ALDH1A1MEN1KMT2AACACBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 US disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 EP disclosed
EP-0070134-B1 SECONDARY PHENYL ETHANOL AMINES AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1985-11-13 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 (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-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B ALDH1A1 2370/4885ALOX12 4066/4885TSHR 2324/4885

“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.