SCHEMBL290303

SCHEMBL290303

CCCC=Cc1cc(OCc2ccccc2)cc(C(C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP19A1 P11511 1/20 0.45
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ALOX5 P09917 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL290302 1.00 KDM4E (0.46) KDM4EALDH1A1PKMCYP1A1CYP1A2
SCHEMBL14032970 0.82 KMT2A (0.59) ALOX5KMT2AMEN1LMNAL3MBTL1
SCHEMBL3725341 0.81 KDM4E (0.52) KDM4EALDH1A1PKMCYP1A1CYP1A2
SCHEMBL3725344 0.81 KDM4E (0.52) KDM4EALDH1A1PKMCYP1A1CYP1A2
SCHEMBL289911 0.78 KMT2A (0.51) CYP1A1CYP1A2CYP19A1ALOX5KMT2A
SCHEMBL29424405 0.78 KDM4E (0.49) KDM4EALDH1A1PKMCYP1A1CYP1A2
SCHEMBL1628656 0.78 KDM4E (0.49) KDM4EALDH1A1PKMCYP1A1CYP1A2
SCHEMBL23639023 0.74 CYP1A1 (0.51) KDM4EALDH1A1PKMCYP1A1CYP1A2
SCHEMBL2986567 0.74 ALOX5 (0.67) KDM4EALDH1A1PKMALOX5KMT2A
SCHEMBL289919 0.74 KMT2A (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-9938221-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2018-04-10 US disclosed
US-9439882-B2 Compounds and compositions for the treatment of cancer PROMETIC BIOSCIENCES INC. (CA) 2016-09-13 US disclosed
US-20160023983-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PROMETIC BIOSCIENCES INC. (CA) 2016-01-28 US disclosed
US-20150313856-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER PROMETIC PHARMA SMT LIMITED (GB) 2015-11-05 US disclosed
US-20150094372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF Liminal Biosciences Limited (GB) 2015-04-02 US disclosed
US-8927765-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC. (CA) 2015-01-06 US disclosed
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2012-04-12 US disclosed
EP-2427416-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF ProMetic BioSciences Inc. (CA) 2012-03-14 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 (4 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-20160023983-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PAH, HRH3, CFH KDM4E 1111/4885ALDH1A1 402/4885PKM 3798/4885
US-20150094372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF TYR, PAH, REN KDM4E 1702/4885ALDH1A1 190/4885PKM 681/4885
US-20150313856-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER DCK, TOP2B, TOP2A KDM4E 460/4885ALDH1A1 467/4885PKM 61/4885
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof TYR, PAH, REN KDM4E 1702/4885ALDH1A1 190/4885PKM 681/4885

“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.