SCHEMBL20520159

SCHEMBL20520159

N#CC1(C(=O)O)C=CC=CC1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
CTSC P53634 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
EPHX2 P34913 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RIPK1 Q13546 1/20 0.30
DPP4 P27487 3/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
USP30 Q70CQ3 1/20 0.30
OPRK1 P41145 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL7312928 0.76 ALDH1A1 (0.36) KDM1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL505429 0.75 EDNRA (0.32) MAPK1CYP2C19KDM4EMAPTOPRK1
SCHEMBL16599817 0.72 HTR2A (0.33) MAPK1CYP2C19LMNA
SCHEMBL31716197 0.72 CUL4A (0.35) KDM1AALDH1A1LMNAHPGD
SCHEMBL17707789 0.71 AKR1C1 (0.33) KDM1ALMNA
SCHEMBL5170532 0.70 POLB (0.35) MAPK1KMT2AMEN1MAPTATM
SCHEMBL7559064 0.69 HTR2A (0.33)
SCHEMBL7174116 0.69
SCHEMBL16428784 0.69 ALDH1A1 (0.33) KDM1ACYP2C19ALDH1A1KMT2AMEN1
SCHEMBL8070798 0.69 KDM1A (0.33) KDM1A

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-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same EXXONMOBIL CHEMICAL PATENTS INC. 2018-10-04 US claimed
US-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same EXXONMOBIL CHEMICAL PATENTS INC. 2018-10-04 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 (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-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same ADH1A, ADH1C, GK KDM1A 868/4885MAPK1 2196/4885CYP2C19 553/4885

“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.