SCHEMBL21891799

SCHEMBL21891799

Cc1cccc(C)c1OC(=O)NCCOC(=O)C(Cc1ccccc1)NC(=O)Oc1c(C)cccc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
POLB P06746 2/20 0.48
ATM Q13315 2/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
TACR1 P25103 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 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
SCHEMBL21891778 0.84 ITGB1 (0.49) POLBATMTSHRSMN1; SMN2TACR1
SCHEMBL26860188 0.81 POLB (0.50) L3MBTL1POLBATMTSHRCTSL
SCHEMBL23766639 0.79 ITGB1 (0.47) POLBATMTSHRSMN1; SMN2TACR1
SCHEMBL18360378 0.78 CTSS (0.62) POLBATMCTSLCTSBCTSS
SCHEMBL7291638 0.74 ITGB3 (0.54) L3MBTL1POLBTSHRCTSLCTSB
SCHEMBL13968387 0.73 ITGB3 (0.53) POLBATMTSHRCTSLCTSB
SCHEMBL10964365 0.72 MMP8 (0.56) POLBATMTACR1CTSLCTSB
SCHEMBL12150054 0.71 FAAH (0.55) POLBTSHRCTSLCTSSCTSK
SCHEMBL21891776 0.71 CTSK (0.45) CTSLCTSBCTSSCTSK
SCHEMBL7283706 0.71 KLK5 (0.59) L3MBTL1POLBATMTSHRCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 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 (2 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 L3MBTL1 3360/4885POLB 376/4885ATM 1401/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 L3MBTL1 3360/4885POLB 376/4885ATM 1401/4885

“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.