SCHEMBL9577400

SCHEMBL9577400

CCc1ccc(OC(=O)C(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.45
THRB P10828 1/20 0.43
ELANE P08246 1/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PLK1 P53350 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL7064540 0.90 RAB9A (0.56) RAB9AALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL4594651 0.85 ELANE (0.56) RAB9AALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL68678 0.83 LMNA (0.59) RAB9AALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL7061682 0.82 RAB9A (0.54) RAB9AALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL11783023 0.82 LMNA (0.57) RAB9AALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL47952 0.81 RAB9A (0.56) RAB9AALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL7064280 0.81 RAB9A (0.49) RAB9AALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL16192677 0.80 ELANE (0.51) RAB9AALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL28097757 0.79 RAB9A (0.47) RAB9AALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL9577301 0.79 PTGS2 (0.52) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104379251-B Use of certain metal accumulating plants for carrying out organic chemical reactions 国家科研中心 2017-07-21 CN disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
CN-104379251-A Use of certain metal accumulating plants for carrying out organic chemical reactions CENTRE NAT RECH SCIENT 2015-02-25 CN disclosed
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed
EP-0009642-B1 PREPARATION OF PHOSPHAZENE COPOLYMERS CONTAINING UNSATURATED SUBSTITUENTS DERIVED FROM PYRUVATE ESTERS AND ALDEHYDES OR KETONES THE FIRESTONE TIRE & RUBBER COMPANY (US) 1982-03-24 EP disclosed
US-4221904-A Polyphosphazene copolymers containing substituents derived from pyruvate esters THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-09-09 US disclosed
EP-0009642-A1 Preparation of phosphazene copolymers containing unsaturated substituents derived from pyruvate esters and aldehydes or ketones THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-04-16 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-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES APC, BRCA1, VHL RAB9A 2267/4885ALDH1A1 434/4885RXRA 264/4885

“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.