SCHEMBL4730460

SCHEMBL4730460

CCCCCCOC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
TSHR P16473 5/20 0.72
LMNA P02545 4/20 0.72
CYP3A4 P08684 3/20 0.69
MAPK1 P28482 2/20 0.69
TP53 P04637 1/20 0.69
PTGS2 P35354 8/20 0.68
HSD17B10 Q99714 4/20 0.63
KDM4E B2RXH2 4/20 0.63
POLB P06746 1/20 0.63
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
OPRK1 P41145 1/20 0.54

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
SCHEMBL4732320 1.00 ALDH1A1 (0.72) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4728781 1.00 ALDH1A1 (0.72) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4728775 1.00 ALDH1A1 (0.72) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11314352 1.00 ALDH1A1 (0.72) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27528077 0.99 TSHR (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL1870045 0.94 TSHR (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9446603 0.94 PTGS2 (0.75) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL12715080 0.94 PTGS2 (0.75) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL22480224 0.92 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11327527 0.91 PTGS2 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4275059-A IN COMBINATION WITH A DIPHOSPHONATE COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1981-06-23 US claimed
US-4199576-A DERIVATIVES OF SALICYCLIC ACID THE PROCTER & GAMBLE COMPANY (US) 1980-04-22 US claimed
CN-107530256-B Topical sunscreen emulsions 帝斯曼知识产权资产管理有限公司 2021-02-02 CN disclosed
US-9962369-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-05-08 US disclosed
US-20150250884-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY SPRAYABLE HOLDINGS, INC. 2015-09-10 US disclosed
WO-2008043654-A2 BLOND CLEAR TREATMENT HENKEL AG & CO. KGAA (DE) 2008-04-17 WO disclosed
US-4287174-A CONTAINING A QUATERNARY AMMONIUM CARBOXY ZWITTERIONIC COMPOUND AND AN ANTACID THE PROCTOR & GAMBLE COMPANY (US) 1981-09-01 US disclosed
US-4275059-A IN COMBINATION WITH A DIPHOSPHONATE COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1981-06-23 US disclosed
US-4199576-A DERIVATIVES OF SALICYCLIC ACID THE PROCTER & GAMBLE COMPANY (US) 1980-04-22 US disclosed
EP-0004686-A2 Anti-ulcer composition THE PROCTER & GAMBLE COMPANY (US) 1979-10-17 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-20150250884-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY VDR, CYP27B1, TTPA ALDH1A1 476/4885TSHR 1266/4885LMNA 2228/4885

“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.