SCHEMBL5332767

SCHEMBL5332767

COc1ccc(C=Cc2c(C)cccc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TRPA1 O75762 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL31195538 0.87 BCHE (0.53) NPC1RAB9ATRPA1MAPTMEN1
SCHEMBL31195553 0.87 BCHE (0.53) NPC1RAB9ATRPA1MAPTMEN1
SCHEMBL27644251 0.85 ALDH1A1 (0.50) RAB9ATRPA1MAPTMEN1KMT2A
SCHEMBL5335032 0.78 TRPA1 (0.61) NPC1RAB9ATRPA1MAPTMEN1
SCHEMBL5335033 0.78 TRPA1 (0.61) NPC1RAB9ATRPA1MAPTMEN1
SCHEMBL3305210 0.75 CXCR5 (0.53) TRPA1MEN1KMT2ALMNAKDM4E
SCHEMBL3305207 0.75 CXCR5 (0.53) TRPA1MEN1KMT2ALMNAKDM4E
SCHEMBL6677635 0.74 ALDH1A1 (0.60) NPC1RAB9ATRPA1MAPTMEN1
SCHEMBL25196440 0.74 MAPT (0.74) NPC1RAB9ATRPA1MAPTMEN1
SCHEMBL4061684 0.73 NPC1 (0.54) NPC1RAB9ATRPA1MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S NPC1 1268/4885RAB9A 4143/4885TRPA1 420/4885

“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.