SCHEMBL89590

SCHEMBL89590

Cc1cc(O)cc(C(=O)O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
ACHE P22303 1/20 0.52
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
HCAR1 Q9BXC0 1/20 0.43
MYC P01106 1/20 0.43
PTPN1 P18031 1/20 0.43
HMGB1 P09429 1/20 0.42
CXCL12 P48061 1/20 0.42
HSD17B10 Q99714 4/20 0.42

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
SCHEMBL25669658 0.88 CA12 (0.50) CYP3A4ACHEKDM4EMEN1KMT2A
SCHEMBL166744 0.83 CYP3A4 (0.48) CYP3A4ACHEKDM4EMEN1KMT2A
SCHEMBL38868 0.82 CYP3A4 (0.52) CYP3A4ACHEKDM4EMEN1KMT2A
SCHEMBL38891 0.82 HMGB1 (0.62) CYP3A4ACHEKDM4EMEN1KMT2A
SCHEMBL31026219 0.82 CYP3A4 (0.52) CYP3A4ACHEKDM4EMEN1KMT2A
SCHEMBL24677705 0.80 CYP3A4 (0.41) CYP3A4ACHEMEN1KMT2ATDP1
SCHEMBL11785416 0.80 HMGB1 (0.60) CYP3A4ACHEKDM4EMEN1KMT2A
SCHEMBL9353947 0.80 CYP3A4 (0.67) CYP3A4ACHEKDM4EMEN1KMT2A
SCHEMBL1259082 0.79 KDM4E (0.63) KDM4EMEN1KMT2ATDP1CA1
SCHEMBL18311221 0.78 CYP3A4 (0.48) CYP3A4ACHEKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231515-B1 PROCESS FOR PRODUCING CARBON SUMITOMO CHEMICAL CO (JP) 2012-05-16 EP disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20100316555-A1 PROCESS FOR PRODUCING CARBON Sumitomt Chemical Company, Limited (JP) 2010-12-16 US disclosed
CN-101910059-A Process for producing carbon SUMITOMO CHEMICAL CO 2010-12-08 CN disclosed
EP-2231515-A2 PROCESS FOR PRODUCING CARBON Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2009082026-A2 PROCESS FOR PRODUCING CARBON SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-02 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CYP3A4 416/4885ACHE 394/4885KDM4E 1650/4885

“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.