SCHEMBL6915817

SCHEMBL6915817

CC(C)c1ccc(/C(=C/C(=O)c2ccc(C3CCCCC3)cc2)C(=O)c2ccc(C(=O)NC(O)CC(=O)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR35 Q9HC97 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC1 Q13547 2/20 0.37
HAO1 Q9UJM8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
DEGS1 O15121 1/20 0.35
SERPINE1 P05121 1/20 0.35
CCR1 P32246 7/20 0.35
BCL2L1 Q07817 2/20 0.35
MCL1 Q07820 2/20 0.35
KCNH2 Q12809 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
SCHEMBL6910316 0.89 RAB9A (0.38) NPC1RAB9AMEN1POLBBLM
SCHEMBL6910178 0.89 RAB9A (0.38) NPC1RAB9AMEN1POLBBLM
SCHEMBL2646768 0.84 CYP2D6 (0.45) NPC1RAB9AMEN1POLBBLM
SCHEMBL2647532 0.84 CYP2D6 (0.45) NPC1RAB9AMEN1POLBBLM
SCHEMBL2647538 0.84 CYP2D6 (0.45) NPC1RAB9AMEN1POLBBLM
SCHEMBL2646770 0.84 CYP2D6 (0.45) NPC1RAB9AMEN1POLBBLM
SCHEMBL2665138 0.84 GCGR (0.47) NPC1RAB9AMEN1POLBBLM
SCHEMBL6915810 0.84 GCGR (0.47) NPC1RAB9AMEN1POLBBLM
SCHEMBL2649608 0.76 GCGR (0.45) NPC1RAB9AMEN1POLBBLM
SCHEMBL2664958 0.76 GCGR (0.45) NPC1RAB9AMEN1POLBBLM

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-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR NPC1 1374/4885RAB9A 3070/4885MEN1 2548/4885

“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.