SCHEMBL8370402

SCHEMBL8370402

O=C(O)c1cccc2c1CCCC2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.41
FABP3 P05413 2/20 0.41
GFER P55789 1/20 0.40
SIRT1 Q96EB6 1/20 0.38
KDM4C Q9H3R0 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL11632294 0.88 SIRT1 (0.45) FABP4GFERSIRT1KDM4C
SCHEMBL11631604 0.85 AKR1C3 (0.41)
SCHEMBL14080996 0.82 SIRT1 (0.45) SIRT1TAS1R3TAS1R1TAS1R2
SCHEMBL1759542 0.82 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2DRD2
SCHEMBL11630624 0.82 KMT2A (0.41) GFERKDM4CTAS1R3TAS1R1TAS1R2
SCHEMBL19383337 0.81 KDM4C (0.46) FABP4FABP3SIRT1KDM4CTAS1R3
SCHEMBL17891701 0.81 KDM4C (0.46) FABP4FABP3SIRT1KDM4CTAS1R3
SCHEMBL11632835 0.81 AKR1C3 (0.46) FABP4SIRT1
SCHEMBL11629819 0.81 NR4A1 (0.46) SIRT1TAS1R3TAS1R1TAS1R2
SCHEMBL11631701 0.77 SIRT1 (0.42) GFERSIRT1DRD2DRD1

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
WO-1999061506-A1 THERMOSETTING COATING COMPOSITIONS BASED ON POLYESTERS EASTMAN CHEMICAL COMPANY (US) 1999-12-02 WO claimed
US-4100191-A 4-(M,M'-Di-t-butyl-p-hydroxyphenyl)-butyl-2-diamides BASF AKTIENGESELLSCHAFT (DE) 1978-07-11 US claimed
EP-2965907-B1 OXYGEN-ABSORBING MEDICAL MULTIWALL CONTAINER AND BIOPHARMACEUTICAL STORAGE METHOD MITSUBISHI GAS CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2014-01-16 US disclosed
WO-1999061506-A1 THERMOSETTING COATING COMPOSITIONS BASED ON POLYESTERS EASTMAN CHEMICAL COMPANY (US) 1999-12-02 WO disclosed
US-4104287-A 4-M,M'-Di-t-butyl-p-hydroxyphenyl) butyl-2 compounds BASF AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4100191-A 4-(M,M'-Di-t-butyl-p-hydroxyphenyl)-butyl-2-diamides BASF AKTIENGESELLSCHAFT (DE) 1978-07-11 US disclosed
US-4026952-A 4-(M,M'-DI-T-BUTYL-P-HYDROXYPHENYL) BUTYL-2 COMPOUNDS BASF AKTIENGESELLSCHAFT (DT) 1977-05-31 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-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CD68, CHMP4B, ANXA5 FABP4 8/4885FABP3 201/4885GFER 3271/4885

“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.