SCHEMBL327681

SCHEMBL327681

CCOc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2A6 P11509 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
ALOX12 P18054 1/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41

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
Formamide SCHEMBL28182922 0.90 CYP2A6 (0.41) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL8916479 0.82 CNR1 (0.51) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL27553479 0.81 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
SCHEMBL12627452 0.81 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL3999003 0.81 CNR1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL20678369 0.81 CNR1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL28418856 0.81 CNR1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL20678483 0.81 CNR1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL20678376 0.81 CNR1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL28182954 0.81 CYP1A2 (0.43) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232189-B Preparation method of high-purity 1-hydroxypyrene 杭州盛弗泰新材料科技有限公司 2021-10-08 CN claimed
US-4773916-A SPARK IGNITION WITH FUSED RING COMPOUNDS UNION OIL COMPANY OF CALIFORNIA (US) 1988-09-27 US claimed
CN-109232189-B Preparation method of high-purity 1-hydroxypyrene 杭州盛弗泰新材料科技有限公司 2021-10-08 CN disclosed
US-8133984-B2 Oligonucleotides comprising signalling pairs and hydrophobic nucleotides, stemless beacons, for detection of nucleic acids, methylation status and mutants of nucleic acids PENTABASE APS (DK) 2012-03-13 US disclosed
US-20100068704-A1 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS PENTABASE APS (DK) 2010-03-18 US disclosed
US-4820873-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-04-11 US disclosed
EP-0125701-B1 POLYCYCLIC AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1988-08-03 EP disclosed
EP-0125701-A2 Polycyclic aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1984-11-21 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-20100068704-A1 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS DNMT1, DNMT3A, DNMT3L ALDH1A1 3382/4885HPGD 3576/4885HSD17B10 3682/4885

“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.