SCHEMBL13304014

SCHEMBL13304014

CCC(=O)Nc1c(O)cccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
AHR P35869 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL30601583 1.00 HTT (0.49) HTTMAPTSMN1; SMN2MAPK1TP53
SCHEMBL10732738 0.84 RAB9A (0.50) MAPTSMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL7532501 0.84 PKM (0.56) HTTMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL3208371 0.81 MAPT (0.52) MAPTMAPK1TP53KDM4EALDH1A1
SCHEMBL13303996 0.81 KMT2A (0.49) HTTMAPTSMN1; SMN2MAPK1TP53
SCHEMBL28353335 0.77 KDM4E (0.47) MAPTMAPK1TP53KDM4EALDH1A1
SCHEMBL3125901 0.77 PTGS1 (0.45) HTTMAPTSMN1; SMN2MAPK1HPGD
SCHEMBL3125907 0.77 SMN1; SMN2 (0.44) HTTMAPTSMN1; SMN2MAPK1LMNA
SCHEMBL22439124 0.76 CYP1A2 (0.51) MAPTSMN1; SMN2MAPK1TP53KDM4E
SCHEMBL22439097 0.76 KCNK3 (0.56) HTTMAPTSMN1; SMN2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA HTT 3570/4885MAPT 4512/4885SMN1; SMN2 796/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB HTT 3461/4885MAPT 4590/4885SMN1; SMN2 813/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A HTT 4722/4885MAPT 4589/4885SMN1; SMN2 3549/4885

“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.