SCHEMBL8106424

SCHEMBL8106424

COc1cc(CC2CCCC(Cc3ccc(O)c(OC)c3)C2O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.65
CYP3A4 P08684 4/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAP2K1 Q02750 1/20 0.53
TAAR1 Q96RJ0 2/20 0.50
TSHR P16473 1/20 0.50
CYP2D6 P10635 1/20 0.49
FOS P01100 1/20 0.49
TTR P02766 1/20 0.49
JUN P05412 1/20 0.49
NR3C1 P04150 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL2989055 0.80 SHBG (0.65) SHBGCYP3A4MAPK1NPC1RAB9A
SCHEMBL3470642 0.79 SHBG (1.00) SHBGCYP3A4MAPK1NPC1RAB9A
SCHEMBL30217506 0.79 SHBG (1.00) SHBGCYP3A4MAPK1NPC1RAB9A
SCHEMBL30098864 0.79 SHBG (1.00) SHBGCYP3A4MAPK1NPC1RAB9A
SCHEMBL8116308 0.78 SHBG (0.59) SHBGCYP3A4MAPK1NPC1RAB9A
SCHEMBL10414026 0.76 CYP19A1 (0.54) SHBGCA1CA2CA4CA6
SCHEMBL28665367 0.75 CYP3A4 (0.74) SHBGCYP3A4MAPK1NPC1RAB9A
SCHEMBL18677719 0.75 CYP3A4 (0.74) SHBGCYP3A4MAPK1NPC1RAB9A
SCHEMBL27597261 0.74 SHBG (0.58) SHBGCYP3A4MAPK1NPC1RAB9A
SCHEMBL29961299 0.74 SHBG (0.70) SHBGCYP3A4MAPK1NPC1RAB9A

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-7842705-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2010-11-30 US disclosed
WO-2008150899-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER AND INFLAMMATORY DISEASES EMORY UNIVERSITY (US) 2008-12-11 WO disclosed
US-20080234320-A1 CURCUMIN ANALOGS WITH ANTI-TUMOR AND ANTI-ANGIOGENIC PROPERTIES EMORY UNIVERSITY 2008-09-25 US disclosed
US-7371766-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2008-05-13 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-20080234320-A1 CURCUMIN ANALOGS WITH ANTI-TUMOR AND ANTI-ANGIOGENIC PROPERTIES PGF, VEGFA, VHL SHBG 1440/4885CYP3A4 4243/4885MAPK1 4501/4885

“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.