SCHEMBL15093809

SCHEMBL15093809

CCCc1ccc(NC(=O)Nc2ccc(CCC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.65
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
ABCG2 Q9UNQ0 3/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
POLB P06746 1/20 0.54
PLK1 P53350 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53

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
SCHEMBL4106216 0.94 RAB9A (0.67) HRH3CA12CA1CA2CA9
SCHEMBL4111018 0.93 TP53 (0.61) HRH3ABCG2RAB9AMEN1KMT2A
SCHEMBL4111823 0.93 NPC1 (0.62) HRH3CA12CA1CA2CA9
SCHEMBL4115930 0.91 GAA (0.61) HRH3CA12CA1CA2CA9
SCHEMBL4112272 0.91 CNR1 (0.66) HRH3RAB9AMEN1KMT2ANPC1
SCHEMBL12678507 0.90 PLK1 (0.58) HRH3CA12CA1CA2CA9
SCHEMBL5188652 0.89 EPHX2 (0.57) HRH3CA12CA1CA2CA9
SCHEMBL4122562 0.89 MAPT (0.62) HRH3CA12CA1CA2CA9
SCHEMBL9037698 0.89 CA12 (0.54) HRH3CA12CA1CA2CA9
SCHEMBL15094124 0.88 CA12 (0.74) HRH3CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679575-B1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS ASAHI CHEMICAL IND (JP) 2019-04-10 EP disclosed
US-8957241-B2 Method for producing carbonyl compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-17 US disclosed
US-20130178645-A1 Method for Producing Carbonyl Compund ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-11 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 (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-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 HRH3 2549/4885CA12 9/4885CA1 10/4885

“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.