SCHEMBL19937828

SCHEMBL19937828

CC(C)(C)c1ccccc1N1CCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 3/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
P2RX7 Q99572 1/20 0.40
GFER P55789 1/20 0.39
ALDH1A1 P00352 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL428192 0.90 RBP4 (0.46) RBP4P2RX7CYP2D6CYP2C9
SCHEMBL4438490 0.84 RBP4 (0.42) RBP4P2RX7
SCHEMBL30483507 0.79 MEN1 (0.41) P2RX7GFERALDH1A1MEN1KMT2A
SCHEMBL382135 0.78 HSD17B10 (0.47) RBP4HSD17B10TP53RARARARB
SCHEMBL1901693 0.77 DDB1 (0.56) HSD17B10P2RX7CYP3A4CYP2C9HPGD
SCHEMBL85903 0.76 ALOX5 (0.55) HSD17B10TP53GFERAPOBEC3AAPOBEC3G
SCHEMBL28334325 0.75 TP53 (0.47) HSD17B10TP53HPGDMEN1KMT2A
SCHEMBL7787664 0.75 HSD17B10 (0.53) HSD17B10TP53GFERALDH1A1APOBEC3A
SCHEMBL2051520 0.75 RBP4 (0.45) RBP4TP53ALDH1A1HPGDMEN1
SCHEMBL25667165 0.74 CRBN (0.65) RBP4

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
US-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-05-27 US disclosed
US-10577374-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 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 (3 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-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EGFR, ERBB2, ERBB4 RBP4 4825/4885HSD17B10 3863/4885TP53 204/4885
US-10577374-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK RBP4 4859/4885HSD17B10 4027/4885TP53 1014/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK RBP4 4859/4885HSD17B10 4027/4885TP53 1014/4885

“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.