SCHEMBL12869780

SCHEMBL12869780

OCCCCc1c2ccccc2c(CO)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RAD52 P43351 2/20 0.36
GCGR P47871 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MCL1 Q07820 1/20 0.34
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MPO P05164 1/20 0.33

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
SCHEMBL2310837 0.93 KDM4E (0.50) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL10530656 0.81 KDM4E (0.46) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL488963 0.81 TSHR (0.45) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL29853841 0.81 TSHR (0.45) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL241214 0.79 HTR2A (0.50) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL12869777 0.79 PADI4 (0.44) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL2113231 0.78 HTR2A (0.48) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL6223286 0.78 KDM4E (0.58) KDM4EPOLBALDH1A1TSHRGAA
SCHEMBL18098077 0.78 HTR2A (0.48) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL2113583 0.78 HTR2A (0.48) KDM4EPOLBALDH1A1TSHRHTT

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-8329771-B2 Photobase generator SAN-APRO LIMITED (JP) 2012-12-11 US disclosed
US-20110028585-A1 PHOTOBASE GENERATOR SAN-APRO LIMITED (JP) 2011-02-03 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 (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-20110028585-A1 PHOTOBASE GENERATOR CCKBR, XDH, PPOX KDM4E 1141/4885POLB 76/4885ALDH1A1 1530/4885

“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.