SCHEMBL11580968

SCHEMBL11580968

CCCCCCCCCOC(=O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TSHR P16473 3/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
NAAA Q02083 1/20 0.55
PAM P19021 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.51
PLA2G4B P0C869 1/20 0.51
PPARG P37231 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL3506940 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL8089822 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL11580191 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL872994 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL10533229 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL3504146 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL27942985 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL10964452 0.98 ALDH1A1 (0.57) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL539127 0.98 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPK1L3MBTL1
SCHEMBL27499971 0.97 ALDH1A1 (0.55) ALDH1A1TSHRLMNAMAPK1L3MBTL1

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-115057994-A Olefin metathesis polymerization method based on diazo monomer and polymer thereof 安徽大学 2022-09-16 CN claimed
US-4113362-A LIGHT VALVE, LIGHT VALVE SUSPENSION MATERIALS AND SUSPENSION THEREFOR RESEARCH FRONTIERS INCORPORATED (US) 1978-09-12 US claimed
US-11802258-B2 Perfume precursor TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-10-31 US disclosed
CN-115057994-A Olefin metathesis polymerization method based on diazo monomer and polymer thereof 安徽大学 2022-09-16 CN disclosed
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US disclosed
CN-105102422-A Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2015-11-25 CN disclosed
CN-101234971-B Method for synthesizing phenylacetic acid ester derivatives and application for products thereof ZHENGZHOU TOBACCO RES CNTC 2010-10-13 CN disclosed
CN-101234971-A Method for synthesizing phenylacetic acid ester derivatives and application for products thereof ZHENGZHOU TOBACCO RES CNTC (CN) 2008-08-06 CN disclosed
US-4113362-A LIGHT VALVE, LIGHT VALVE SUSPENSION MATERIALS AND SUSPENSION THEREFOR RESEARCH FRONTIERS INCORPORATED (US) 1978-09-12 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 (2 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-11802258-B2 Perfume precursor CYP2E1, ADH1A, CYP1A1 ALDH1A1 26/4885TSHR 4186/4885LMNA 3027/4885
US-20210214644-A1 PERFUME PRECURSOR CYP2E1, ADH1A, CYP1A1 ALDH1A1 26/4885TSHR 4186/4885LMNA 3027/4885

“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.