SCHEMBL4075763

SCHEMBL4075763

CC(C)(C)c1cc(C(=O)CO)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
RXRB P28702 7/20 0.44
RXRA P19793 6/20 0.44
RXRG P48443 4/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL19056879 0.84 MAPT (0.55) ACHEGABRA1GABRB2RXRBRXRA
SCHEMBL27857311 0.83 ACHE (0.46) ACHEGABRA1GABRB2RXRBRXRA
SCHEMBL28321265 0.81 SMN1; SMN2 (0.44) ACHEMEN1KMT2AMAPTNPC1
SCHEMBL6971428 0.81 CA12 (0.49) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL1927936 0.81 GSK3B (0.46) ACHEGABRA1GABRB2RXRBRXRA
SCHEMBL6581884 0.80 ACHE (0.72) ACHERXRBRXRAMEN1KMT2A
SCHEMBL8153195 0.79 HSD17B3 (0.47) ACHEGABRA1GABRB2RXRBRXRA
SCHEMBL12801046 0.79 RXRA (0.46) ACHEGABRA1GABRB2RXRBRXRA
SCHEMBL5874076 0.78 RAB9A (0.63) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19281439 0.78 CES2 (0.61) RXRBRXRARXRGHDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO disclosed
US-6083977-A HAVING ACTIVITY FOR RETINOIC ACID RECEPTORS AND RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-07-04 US disclosed
EP-0800503-B1 NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2000-05-10 EP disclosed
US-5721103-A SKIN DISORDERS; VISION DEFECTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1998-02-24 US disclosed
WO-1996020913-A1 NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-07-11 WO 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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 ACHE 4676/4885GABRA1 2118/4885GABRB2 732/4885

“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.