SCHEMBL20100235

SCHEMBL20100235

CCCCCCCCCCCCOC(=O)c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ TP53 P04637 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ESR1 P03372 3/20 0.56
▸ AKR1C4 P17516 1/20 0.56
▸ AKR1C3 P42330 1/20 0.56
▸ AKR1C2 P52895 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.56
▸ STS P08842 5/20 0.56
▸ CNR2 P34972 1/20 0.56

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
SCHEMBL6932101 1.00 HRH3 (0.61) HRH3DRD3ALDH1A1TSHRLMNA
SCHEMBL20100236 1.00 HRH3 (0.61) HRH3DRD3ALDH1A1TSHRLMNA
SCHEMBL3157861 1.00 HRH3 (0.61) HRH3DRD3ALDH1A1TSHRLMNA
SCHEMBL16606224 1.00 HRH3 (0.61) HRH3DRD3ALDH1A1TSHRLMNA
SCHEMBL11527051 0.94 HRH3 (0.64) HRH3DRD3TSHRLMNATP53
SCHEMBL9458309 0.94 ALDH1A1 (0.67) ALDH1A1TSHRLMNANPC1MAPT
SCHEMBL16632600 0.94 ALDH1A1 (0.67) ALDH1A1TSHRLMNANPC1MAPT
SCHEMBL4853372 0.94 ALDH1A1 (0.67) ALDH1A1TSHRLMNANPC1MAPT
SCHEMBL9458671 0.94 ALDH1A1 (0.67) ALDH1A1TSHRLMNANPC1MAPT
SCHEMBL9458337 0.94 ALDH1A1 (0.67) ALDH1A1TSHRLMNANPC1MAPT

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 HRH3 3463/4885DRD3 1328/4885ALDH1A1 172/4885

“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.

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