SCHEMBL6604319

SCHEMBL6604319

COc1ccc(CC#N)c2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
HTT P42858 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL15988845 0.78 KDM4E (0.66) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL6609896 0.78 LMNA (0.50) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL11359091 0.77 MAOB (0.40) KDM4EALDH1A1LMNAMAPTCYP1A2
SCHEMBL6604465 0.76 ALDH1A1 (0.33) KDM4EALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL32889362 0.75 ALDH1A1 (0.50) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL6234576 0.70 AOC3 (0.49) KDM4EALDH1A1LMNAMAPTCYP1A2
SCHEMBL954640 0.70 MEN1 (0.47) KDM4EALDH1A1LMNAMAPTPOLB
SCHEMBL25366488 0.70 ALDH1A1 (0.50) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL29361367 0.70 ALDH1A1 (0.50) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL25640160 0.70 ALDH1A1 (0.41) KDM4EALDH1A1LMNAHSD17B10MAPT

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
EP-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 EP disclosed
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US disclosed
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 KDM4E 444/4885ALDH1A1 232/4885LMNA 4242/4885

“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.