SCHEMBL4277069

SCHEMBL4277069

CC(C)CCOc1ccc(C(=O)c2ccc3c(c2)n(CCC(C)C)c(=O)n3CCC(C)C)cc1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.40
JUN P05412 2/20 0.40
HPD P32754 11/20 0.39
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
LTB4R Q15722 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4280746 0.90 HPD (0.37) FOSJUNHPDMAPK1RXFP1
SCHEMBL4853208 0.81 FOS (0.48) FOSJUNMAPK1RXFP1LTB4R
SCHEMBL4285933 0.75 SLC22A12 (0.49) HPDALDH1A1
SCHEMBL13857322 0.75 PPARG (0.43) FOSJUNLTB4RPPARG
SCHEMBL4282176 0.72 CNR2 (0.50) HPDALDH1A1GLASMN1; SMN2POLB
SCHEMBL4279655 0.71 FOS (0.56) FOSJUNMAPK1THRATHRB
SCHEMBL4281229 0.71 MAPK1 (0.42) FOSJUNMAPK1RXFP1LTB4R
SCHEMBL4281226 0.71 MAPK1 (0.42) FOSJUNMAPK1RXFP1LTB4R
SCHEMBL4277956 0.71 CYP19A1 (0.44) FOSJUNMAPK1RXFP1LTB4R
SCHEMBL4280876 0.68 THRA (0.47) MAPK1THRATHRBPPARGALDH1A1

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
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 FOS 63/4885JUN 20/4885HPD 3667/4885

“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.