SCHEMBL178894

SCHEMBL178894

O=C(O)CCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 1.00
▸ HTT P42858 1/20 0.52
▸ EPHX2 P34913 1/20 0.48
▸ CASP3 P42574 2/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ FABP7 O15540 1/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ TLR2 O60603 1/20 0.43
▸ TLR1 Q15399 1/20 0.43

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
SCHEMBL178761 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL2182769 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178758 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178760 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178762 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178890 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178892 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL25143 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178895 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL17746959 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C

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
EP-1506970-A1 COMPOUNDS WHICH CAN BLOCK THE RESPONSE TO CHEMICAL SUBSTANCES OR THERMAL STIMULI OR MEDIATORS OF INFLAMMATION OF NOCICEPTORS, PRODUCTION METHOD THEREOF AND COMPOSITIONS CONTAINING SAME Diverdrugs, S.L. (ES) 2005-02-16 — — EP claimed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 — — US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 — — US disclosed
US-7183430-B2 Compounds which can block the response to chemical substances or thermal stimuli or mediators of inflammation of nociceptors, production method thereof and compositions containing same DIVERDRUGS, S.L. (ES) 2007-02-27 — — US disclosed
US-20050130907-A1 Compounds which can block the response to chemical substances or thermal stimuli or mediators of inflammation of nociceptors, production method thereof and compositions containing same BCN PEPTIDES S.A. (ES) 2005-06-16 — — US disclosed
EP-1506970-A1 COMPOUNDS WHICH CAN BLOCK THE RESPONSE TO CHEMICAL SUBSTANCES OR THERMAL STIMULI OR MEDIATORS OF INFLAMMATION OF NOCICEPTORS, PRODUCTION METHOD THEREOF AND COMPOSITIONS CONTAINING SAME Diverdrugs, S.L. (ES) 2005-02-16 — — 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-20050130907-A1 Compounds which can block the response to chemical substances or thermal stimuli or mediators of inflammation of nociceptors, production method thereof and compositions containing same OPRL1, TRPA1, LTB4R2 KMT2A 3653/4885HTT 2217/4885EPHX2 390/4885

“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.

Send feedback