SCHEMBL2697159

SCHEMBL2697159

CCCCc1c(C)cccc1[O]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
SKP2 Q13309 1/20 0.36
CXCR5 P32302 1/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KCNH2 Q12809 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
APLNR P35414 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
SCHEMBL2697043 0.94 KCNH2 (0.42) TSHRCXCR5HPGDKDM4EALDH1A1
SCHEMBL2697622 0.89 TSHR (0.45) TSHRCXCR5HPGDKDM4EALDH1A1
SCHEMBL9240455 0.84 SKP2 (0.42) TSHRSKP2CXCR5HPGDKDM4E
SCHEMBL1005447 0.82 BID (0.40)
SCHEMBL2697186 0.82 GABRA1 (0.40) HPGDKDM4EALDH1A1HSD17B10KCNH2
SCHEMBL659716 0.80 NOS3 (0.38) TSHRALDH1A1HTTMAPK1MAPT
SCHEMBL11325915 0.80 SMN1; SMN2 (0.41) HPGDKDM4EALDH1A1HSD17B10KCNH2
SCHEMBL11066029 0.79 GABRA1 (0.41) TSHRSKP2NPSR1
SCHEMBL11852687 0.78 KCNH2 (0.50) TSHRCXCR5KDM4EALDH1A1HSD17B10
SCHEMBL28028696 0.78 TSHR (0.39) TSHRSKP2CXCR5HPGDKDM4E

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
EP-2226328-B1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND ASAHI KASEI CHEMICALS CORP (JP) 2012-12-26 EP disclosed
US-8168812-B2 Process for producing alkyl tin alkoxide compound and process for producing carbonic acid ester using said compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-05-01 US disclosed
US-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
EP-2226328-A1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-09-08 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-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound OXSR1, AOC2, OXER1 TSHR 249/4885SKP2 3032/4885CXCR5 993/4885

“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.