SCHEMBL3745801

SCHEMBL3745801

Cc1ccc(C)c(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.65
NR1H4 Q96RI1 2/20 0.55
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
KMO O15229 1/20 0.53
GRIK1 P39086 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
DHODH Q02127 2/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
CNR2 P34972 1/20 0.47
DDT P30046 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL26464789 0.87 GRIK1 (0.55) S1PR4NR1H4AKR1C3AKR1C2KMO
SCHEMBL28372111 0.86 AKR1C3 (0.63) S1PR4NR1H4AKR1C3AKR1C2KMO
SCHEMBL4350191 0.85 CNR2 (0.52) S1PR4NR1H4AKR1C3AKR1C2KMO
SCHEMBL16574048 0.84 RXRA (0.57) S1PR4NR1H4AKR1C3AKR1C2KMO
SCHEMBL2995452 0.83 NR1H4 (0.74) S1PR4NR1H4AKR1C3AKR1C2KMO
SCHEMBL4366968 0.82 FOLH1 (0.62) S1PR4NR1H4AKR1C3AKR1C2KMO
SCHEMBL12171750 0.82 MYC (0.56) S1PR4NR1H4KMT2AMEN1ALDH1A1
SCHEMBL10110947 0.81 ALDH1A1 (0.57) S1PR4NR1H4GRIK1GRIA1GRIA2
SCHEMBL18397597 0.81 AKR1C3 (0.64) NR1H4AKR1C3AKR1C2KMODHODH
SCHEMBL121813 0.80 KMO (0.68) AKR1C2KMODHODHRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995017471-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO claimed
WO-1995017472-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO claimed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
WO-2006010082-A1 1,4-DISUBSTITUTED NAPHTALENES AS INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2006-01-26 WO disclosed
WO-1995000592-A1 DISAZO DYES ZENECA LIMITED (GB) 1995-01-05 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-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 S1PR4 2311/4885NR1H4 991/4885AKR1C3 1815/4885

“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.