SCHEMBL19210262

SCHEMBL19210262

CCCCCC(C)NC(=O)C=Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
EGFR P00533 1/20 0.60
GAA P10253 2/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
HDAC3 O15379 4/20 0.57
RECQL P46063 1/20 0.56
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL26222748 0.85 EGFR (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL5272815 0.84 EGFR (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
N-Sec-Butylcinnamamide SCHEMBL24740108 0.84 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL31661815 0.84 EGFR (0.61) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL10983632 0.81 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11125448 0.80 ALDH1A1 (0.84) ALDH1A1GAASMN1; SMN2HTTMAPT
SCHEMBL11125445 0.80 ALDH1A1 (0.84) ALDH1A1GAASMN1; SMN2HTTMAPT
SCHEMBL6465249 0.80 ADH1B (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL21336468 0.80 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11098283 0.80 ALDH1A1 (0.60) ALDH1A1MAPK1GAALMNASMN1; SMN2

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-20230293535-A1 ERBB/BTK INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-09-21 US disclosed
EP-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 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-20230293535-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 ALDH1A1 4856/4885CYP1A2 4302/4885CYP3A4 3778/4885

“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.