SCHEMBL3379979

SCHEMBL3379979

NC(=O)c1ccccc1CCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DHODH Q02127 2/20 0.43
FOLH1 Q04609 1/20 0.42
METAP2 P50579 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SLC16A3 O15427 3/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 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
SCHEMBL2021481 0.94 BCAT2 (0.46) BCAT2MAPTKDM4EALDH1A1HPGD
SCHEMBL30177551 0.92 ALDH1A1 (0.50) BCAT2MAPTKDM4EALDH1A1HPGD
SCHEMBL31054164 0.90 MAPT (0.48) BCAT2MAPTKDM4EALDH1A1HPGD
SCHEMBL363595 0.86 BCAT2 (0.48) BCAT2MAPTKDM4EALDH1A1HPGD
SCHEMBL3824069 0.84 KDM4E (0.40) BCAT2MAPTKDM4EALDH1A1HPGD
SCHEMBL4735612 0.84 ALDH1A1 (0.54) BCAT2MAPTKDM4EALDH1A1HPGD
SCHEMBL7460853 0.84 KDM4E (0.42) BCAT2MAPTKDM4EALDH1A1HPGD
SCHEMBL8366893 0.84 MAPT (0.42) BCAT2MAPTKDM4EALDH1A1HPGD
SCHEMBL29009406 0.84 MAPT (0.42) BCAT2MAPTKDM4EALDH1A1HPGD
SCHEMBL29690496 0.84 MAPT (0.42) BCAT2MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (5 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 BCAT2 3090/4885MAPT 2884/4885KDM4E 371/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 BCAT2 2124/4885MAPT 4874/4885KDM4E 1379/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 BCAT2 3090/4885MAPT 2884/4885KDM4E 371/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 BCAT2 2191/4885MAPT 4304/4885KDM4E 1773/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 BCAT2 1907/4885MAPT 4215/4885KDM4E 2141/4885

“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.