SCHEMBL4842645

SCHEMBL4842645

CCCC(C)C(=O)Nc1cccc(C(=O)/C=C2\NC(C)(C)Cc3ccc(OC)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35

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
SCHEMBL4842657 1.00 HSD17B10 (0.42) HSD17B10TSHRKDM4ELMNAKMT2A
SCHEMBL4842621 0.94 KMT2A (0.41) HSD17B10TSHRKDM4ELMNAKMT2A
SCHEMBL4842607 0.94 KMT2A (0.41) HSD17B10TSHRKDM4ELMNAKMT2A
SCHEMBL4844539 0.93 KDM4E (0.41) HSD17B10TSHRKDM4ELMNAKMT2A
SCHEMBL4844562 0.93 KDM4E (0.41) HSD17B10TSHRKDM4ELMNAKMT2A
SCHEMBL4843111 0.91 LMNA (0.42) HSD17B10TSHRKDM4ELMNAKMT2A
SCHEMBL4843098 0.91 LMNA (0.42) HSD17B10TSHRKDM4ELMNAKMT2A
SCHEMBL4844822 0.90 MAPT (0.44) HSD17B10TSHRKDM4ELMNAKMT2A
SCHEMBL4844801 0.90 MAPT (0.44) HSD17B10TSHRKDM4ELMNAKMT2A
SCHEMBL4839781 0.89 KMT2A (0.47) TSHRKDM4ELMNAKMT2AALDH1A1

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 HSD17B10 2670/4885TSHR 2777/4885KDM4E 4466/4885

“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.