SCHEMBL10317064

SCHEMBL10317064

CCCCCCC[CH]c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
CETP P11597 1/20 0.43
EPHX1 P07099 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
NQO2 P16083 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL10316555 1.00 RELA (0.44) RELAHDAC1HDAC8CETPEPHX1
SCHEMBL7493543 0.98 RELA (0.46) RELAHDAC1HDAC8CETPEPHX1
SCHEMBL536967 0.93 RELA (0.47) RELAHDAC1HDAC8CETPSMN1; SMN2
SCHEMBL7498639 0.85 RELA (0.50) RELASMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL8670732 0.82 HDAC1 (0.47) RELAHDAC1HDAC8SMN1; SMN2LMNA
SCHEMBL140015 0.81 RELA (0.54) RELASMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL28203697 0.80 TSHR (0.46) RELAHDAC1HDAC8CETPEPHX1
SCHEMBL9559166 0.80 RELA (0.46) RELAHDAC1HDAC8SMN1; SMN2LMNA
SCHEMBL139446 0.79 TDP1 (0.47) SMN1; SMN2LMNAMAPTTDP1
SCHEMBL303521 0.79 TDP1 (0.47) SMN1; SMN2LMNAMAPTTDP1

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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 RELA 848/4885HDAC1 994/4885HDAC8 1664/4885

“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.