SCHEMBL89165

SCHEMBL89165

COCCCOc1cc(C=O)cc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
CYP2C9 P11712 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
EGFR P00533 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
LMNA P02545 6/20 0.34
MAPT P10636 5/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 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
SCHEMBL8262772 0.84 EGFR (0.35) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL1618933 0.82 ALDH1A1 (0.47) FDPSNPC1RAB9AALDH1A1KDM4E
SCHEMBL89628 0.77 KDM4E (0.50) ALDH1A1KDM4EFFAR4LMNACYP1A2
SCHEMBL89363 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EFFAR4LMNAMAPT
SCHEMBL1911369 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EFFAR4LMNAMAPT
SCHEMBL89112 0.73 AHR (0.47) FDPSNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18810341 0.73 KDM4E (0.51) FDPSCYP2C9NPSR1NPC1RAB9A
SCHEMBL8137679 0.73 ALDH1A1 (0.44) FDPSNPC1RAB9AALDH1A1KDM4E
SCHEMBL1619663 0.72 CYP1A2 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL2567300 0.70 ALDH1A1 (0.37) FDPSALDH1A1KDM4ESMN1; SMN2LMNA

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
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
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
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 FDPS 3447/4885CYP2C9 211/4885NPSR1 942/4885

“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.