SCHEMBL5387322

SCHEMBL5387322

CCCCPc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP2A6 P11509 1/20 0.38
GAA P10253 5/20 0.36
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 4/20 0.36
HTT P42858 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36
RCE1 Q9Y256 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5401288 0.95 KDM4E (0.39) HTR1BHTR1DALDH1A1GAAKDM4E
SCHEMBL5385233 0.93 KDM4E (0.40) HTR1BALDH1A1GAAKDM4ENPC1
SCHEMBL5396198 0.93 KDM4E (0.40) HTR1BALDH1A1GAAKDM4ENPC1
SCHEMBL5393198 0.93 KDM4E (0.40) HTR1BALDH1A1GAAKDM4ENPC1
SCHEMBL5387664 0.93 KDM4E (0.40) HTR1BALDH1A1GAAKDM4ENPC1
SCHEMBL5380785 0.93 KDM4E (0.40) HTR1BALDH1A1GAAKDM4ENPC1
SCHEMBL5380913 0.93 KDM4E (0.40) HTR1BALDH1A1GAAKDM4ENPC1
SCHEMBL5397688 0.93 KDM4E (0.40) HTR1BALDH1A1GAAKDM4ENPC1
SCHEMBL5390055 0.89 ALDH1A1 (0.40) HTR1BHTR1DALDH1A1CYP2A6TDP1
SCHEMBL28788098 0.81 HSD17B10 (0.45) HTR1BHTR1DALDH1A1CYP2A6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 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-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 HTR1B 3626/4885HTR1D 3985/4885ALDH1A1 4248/4885

“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.