SCHEMBL20100237

SCHEMBL20100237

CCCCCCCCCCOC(=O)c1cccc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
TSHR P16473 5/20 0.74
LMNA P02545 3/20 0.74
MAPK1 P28482 3/20 0.71
CYP3A4 P08684 2/20 0.71
TP53 P04637 1/20 0.71
KDM4E B2RXH2 5/20 0.65
HSD17B10 Q99714 2/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
CNR1 P21554 3/20 0.62
CNR2 P34972 3/20 0.62
HRH3 Q9Y5N1 2/20 0.61
CYP2C9 P11712 1/20 0.60
CDC25B P30305 1/20 0.57
KDM4A O75164 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
DRD3 P35462 1/20 0.54
MAPT P10636 1/20 0.52

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
SCHEMBL4407176 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27721668 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL30295637 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27729056 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9288049 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5709967 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL8665013 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9681013 0.99 ALDH1A1 (0.72) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27477086 0.99 ALDH1A1 (0.72) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27554319 0.99 ALDH1A1 (0.72) ALDH1A1TSHRLMNAMAPK1CYP3A4

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-20180118917-A1 NAPHTHOIC ACID ESTER PLASTICIZERS AND METHOD OF MAKING EXXONMOBIL RESEARCH AND ENGINEERING COMPAY 2018-05-03 US disclosed
US-20180118917-A1 NAPHTHOIC ACID ESTER PLASTICIZERS AND METHOD OF MAKING EXXONMOBIL RESEARCH AND ENGINEERING COMPAY 2018-05-03 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 (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-20180118917-A1 NAPHTHOIC ACID ESTER PLASTICIZERS AND METHOD OF MAKING FASN, ADH1A, ALOX15 ALDH1A1 172/4885TSHR 3405/4885LMNA 234/4885

“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.