SCHEMBL23707607

SCHEMBL23707607

CCOC(=O)/C=C/c1coc2ccc(OCc3ccccc3)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.53
PTGS2 P35354 2/20 0.53
MAOB P27338 8/20 0.52
MAOA P21397 7/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL20483281 0.84 NR1H4 (0.57) PTGESPTGS2MAOBMAOACASP3
SCHEMBL7952747 0.80 MAOA (0.77) PTGESPTGS2MAOBMAOACASP3
SCHEMBL16319027 0.79 MEN1 (0.53) MAOBNPC1RAB9AL3MBTL1PKM
SCHEMBL18538451 0.79 MEN1 (0.56) MAOBL3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL16319026 0.79 MEN1 (0.53) MAOBNPC1RAB9AL3MBTL1PKM
SCHEMBL30106288 0.79 MEN1 (0.56) MAOBL3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL10638962 0.79 MEN1 (0.56) MAOBL3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL1549368 0.79 MEN1 (0.56) L3MBTL1PKMMEN1KMT2AALDH1A1
SCHEMBL1549366 0.79 MEN1 (0.56) L3MBTL1PKMMEN1KMT2AALDH1A1
SCHEMBL433576 0.78 HDAC8 (0.68) L3MBTL1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017466-A1 COMPOUNDS AND METHODS FOR INHIBITING EMT PATHWAYS TO TREAT CANCER, ORGAN FIBROSIS AND METABOLIC DISORDERS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-20 US disclosed
US-11078159-B2 Compounds and methods for inhibiting EMT pathways to treat cancer, organ fibrosis and metabolic disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-08-03 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-11078159-B2 Compounds and methods for inhibiting EMT pathways to treat cancer, organ fibrosis and metabolic disorders HGF, SMAD3, HRAS PTGES 1638/4885PTGS2 1279/4885MAOB 4207/4885
US-20220017466-A1 COMPOUNDS AND METHODS FOR INHIBITING EMT PATHWAYS TO TREAT CANCER, ORGAN FIBROSIS AND METABOLIC DISORDERS HGF, SMAD3, HRAS PTGES 1638/4885PTGS2 1279/4885MAOB 4207/4885

“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.