SCHEMBL3557080

SCHEMBL3557080

Cc1cc(=O)c(C(=O)O)c(C)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NQO1 P15559 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL20624642 0.82 CYP3A4 (0.41) MAPTKMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL5190617 0.82 POLB (0.56) MAPTRAB9AKMT2AL3MBTL1ALDH1A1
SCHEMBL9822717 0.79 ALDH1A1 (0.58) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL11329697 0.76 ALDH1A1 (0.48) MAPTRAB9AKMT2AAPAF1ALDH1A1
SCHEMBL10569660 0.75 HPGD (0.66) MAPTRAB9AKMT2AALDH1A1KDM4E
SCHEMBL2805600 0.71 POLB (0.57) MAPTRAB9AKMT2AL3MBTL1APAF1
SCHEMBL2590278 0.71 PTGS1 (0.50) MAPTKMT2AL3MBTL1KDM4ENQO1
SCHEMBL546834 0.71 MAPT (0.59) MAPTRAB9AKMT2AALDH1A1HTT
SCHEMBL10577075 0.71 NPC1 (0.50) MAPTRAB9AKMT2AALDH1A1HTT
SCHEMBL1975589 0.71 KDM4E (0.61) KMT2AL3MBTL1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2006-09-14 US disclosed
US-7084163-B2 Heterocyclic carboxamides and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2006-08-01 US disclosed
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2004-08-05 US disclosed
EP-1425276-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2004-06-09 EP disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
WO-2003006454-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2003-01-23 WO disclosed
US-4886546-A Pyrone-3-carboxamide compounds and herbicidal composition thereof DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1989-12-12 US disclosed
US-4730061-A PLANT GROWTH REGULATORS DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1988-03-08 US disclosed
US-4570003-A DEACETYLATION OF DEHYDROACETIC ACID USING AQUEOUS SULFURIC ACID SOLUTION; RATIOS ROHM AND HAAS COMPANY (US) 1986-02-11 US disclosed
EP-0059052-A1 Process for the preparation of a substituted pyrone ROHM AND HAAS COMPANY (US) 1982-09-01 EP disclosed
US-4115101-A PLANT GROWTH REGULATORS, CHEMICAL HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1978-09-19 US disclosed
US-4051142-A PLANT GROWTH REGULATORS ROHM AND HAAS COMPANY (US) 1977-09-27 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 (2 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-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS MAPT 4778/4885RAB9A 3290/4885KMT2A 333/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS MAPT 4693/4885RAB9A 3349/4885KMT2A 358/4885

“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.