SCHEMBL2697152

SCHEMBL2697152

CCCC(C)(C)c1ccccc1[O]

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR2 P34972 3/20 0.31
TAAR1 Q96RJ0 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CNR1 P21554 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30

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
SCHEMBL27959981 0.88 CNR2 (0.36) GAACNR2HSP90AA1HSP90AB1CNR1
SCHEMBL2911394 0.86 CNR2 (0.40) GAACNR2CNR1
SCHEMBL8016745 0.85 CNR2 (0.41) GAACNR2CNR1
SCHEMBL1535124 0.83 MAPK1 (0.39) GAAALDH1A1TSHRTDP1TAAR1
SCHEMBL2914748 0.77 SHBG (0.38) ALDH1A1TSHRTDP1TAAR1SMN1; SMN2
SCHEMBL815729 0.75 TAAR1 (0.34) ALDH1A1TSHRTDP1TAAR1
SCHEMBL18387167 0.75 ACHE (0.34) CYP2C19ALDH1A1TSHRTDP1
SCHEMBL19068294 0.75 SLC6A2 (0.38) ALDH1A1TDP1LMNAMAPK1
SCHEMBL19281833 0.75 ALDH1A1 (0.31) ALDH1A1TSHRTDP1TAAR1
SCHEMBL983814 0.75 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CNR2HSP90AA1

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 GAA 4585/4885ALOX12 253/4885CYP2C19 2122/4885

“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.