SCHEMBL22109092

SCHEMBL22109092

CC/C=C/C(=O)NCCO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.49
ALDH1A1 P00352 6/20 0.49
CNR2 P34972 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
BLM P54132 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
FAAH O00519 1/20 0.38
KCNK3 O14649 1/20 0.38
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 2/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14813333 1.00 CNR1 (0.49) CNR1ALDH1A1CNR2MEN1KMT2A
SCHEMBL28044706 0.88 ALDH1A1 (0.46) CNR1ALDH1A1CNR2KMT2AMAPT
SCHEMBL11296642 0.84 ALDH1A1 (0.45) CNR1ALDH1A1CNR2MAPT
SCHEMBL14813331 0.83 ALDH1A1 (0.37) CNR1ALDH1A1CNR2KMT2AMAPT
SCHEMBL14813332 0.83 ALDH1A1 (0.37) CNR1ALDH1A1CNR2KMT2AMAPT
SCHEMBL11306763 0.81 ALDH1A1 (0.46) ALDH1A1CNR2MEN1KMT2AMAPT
SCHEMBL679131 0.81 ALDH1A1 (0.46) ALDH1A1CNR2MEN1KMT2AMAPT
SCHEMBL679130 0.81 ALDH1A1 (0.46) ALDH1A1CNR2MEN1KMT2AMAPT
SCHEMBL9111857 0.81 ZDHHC20 (0.50) CNR1ALDH1A1CNR2MAPTHPGD
SCHEMBL19261723 0.81 ZDHHC20 (0.50) CNR1ALDH1A1CNR2MAPTHPGD

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-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application Shanghai Pharmaceuticals Holding Cd., Ltd. (CN) 2023-02-14 US disclosed
US-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-06-18 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-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION ERBB2, EGFR, ERBB4 CNR1 1158/4885ALDH1A1 3963/4885CNR2 1015/4885
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application ERBB2, EGFR, ERBB4 CNR1 1167/4885ALDH1A1 4057/4885CNR2 980/4885

“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.