SCHEMBL981915

SCHEMBL981915

CCC(CC)c1ccccc1Oc1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL982030 0.91 DHFR (0.32) L3MBTL1POLBHTTNPSR1
SCHEMBL983302 0.89 DHFR (0.34) TSHRALDH1A1
SCHEMBL982282 0.88 DHFR (0.33) L3MBTL1POLBHTTNPSR1
SCHEMBL983861 0.87 TSHR (0.44) L3MBTL1HTTKDM4EATMNISCH
SCHEMBL980127 0.83 DHFR (0.34)
SCHEMBL983816 0.81 P2RX3 (0.42) L3MBTL1NISCHTSHRALDH1A1
SCHEMBL982118 0.81 KDM4E (0.32) L3MBTL1HTTKDM4EATMNISCH
SCHEMBL984171 0.79 KDM4E (0.33) L3MBTL1KDM4EATMNISCHTSHR
SCHEMBL10965997 0.76 KDM4E (0.35) L3MBTL1HTTKDM4EALDH1A1
SCHEMBL979986 0.75 L3MBTL1 (0.43) L3MBTL1NPSR1KDM4EATMNISCH

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-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH L3MBTL1 3460/4885POLB 2481/4885HTT 2433/4885

“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.