SCHEMBL88781

SCHEMBL88781

CCc1cc(OCCCOC)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
REN P00797 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
FAAH O00519 1/20 0.35
IDO1 P14902 2/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL15087925 0.86 GPR84 (0.37) ALDH1A1KDM4EGAAGPR84AURKA
SCHEMBL88789 0.83 KDM4E (0.42) ALDH1A1KDM4EGAAL3MBTL1PPARG
SCHEMBL88985 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EGAAL3MBTL1CYP1A2
SCHEMBL10181841 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EGAAAURKARPS6KB1
SCHEMBL24470476 0.80 MAPT (0.47) ALDH1A1KDM4EGAAGPR84L3MBTL1
SCHEMBL12440168 0.80 RXRA (0.47) ALDH1A1KDM4EL3MBTL1RXRARXRB
SCHEMBL12051638 0.80 RXRA (0.47) RXRARXRBRXRG
SCHEMBL89305 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EAURKARPS6KB1AURKB
SCHEMBL88959 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EGAAL3MBTL1CYP1A2
SCHEMBL2811296 0.78 GPR84 (0.38) ALDH1A1KDM4EGPR84L3MBTL1RXRA

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885KDM4E 1650/4885GAA 309/4885

“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.