SCHEMBL8555718

SCHEMBL8555718

O=C(O)COCc1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
TSHR P16473 4/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.43
ESR2 Q92731 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL29270091 0.84 ALDH1A1 (0.54) ALDH1A1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL27625638 0.84 ALDH1A1 (0.64) ALDH1A1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL12611016 0.82 ALDH1A1 (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL12611218 0.81 ALDH1A1 (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL891457 0.80 ALDH1A1 (0.55) ALDH1A1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL6598909 0.78 ALDH1A1 (0.57) ALDH1A1TSHRPOLBMAPK1TDP1
SCHEMBL10485701 0.78 ALDH1A1 (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL6443452 0.77 ALDH1A1 (0.70) ALDH1A1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL15064216 0.76
SCHEMBL15087211 0.76 ALDH1A1 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1TSHR

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
US-9826129-B2 Near-infrared-ray-absorbing composition, near-infrared-ray cut filter using same, manufacturing method therefor, camera module, and manufacturing method therefor FUJIFILM CORPORATION (JP) 2017-11-21 US disclosed
US-9826129-B2 Near-infrared-ray-absorbing composition, near-infrared-ray cut filter using same, manufacturing method therefor, camera module, and manufacturing method therefor FUJIFILM CORPORATION (JP) 2017-11-21 US disclosed
US-20160037034-A1 NEAR-INFRARED-RAY-ABSORBING COMPOSITION, NEAR-INFRARED-RAY CUT FILTER USING SAME, MANUFACTURING METHOD THEREFOR, CAMERA MODULE, AND MANUFACTURING METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-02-04 US disclosed
US-20160037034-A1 NEAR-INFRARED-RAY-ABSORBING COMPOSITION, NEAR-INFRARED-RAY CUT FILTER USING SAME, MANUFACTURING METHOD THEREFOR, CAMERA MODULE, AND MANUFACTURING METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-02-04 US disclosed
EP-2688554-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES Cevc, Gregor (DE) 2014-01-29 EP disclosed
US-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2014-01-16 US disclosed
WO-2012126966-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2012-09-27 WO disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO 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-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CD68, CHMP4B, ANXA5 ALDH1A1 2064/4885SLC1A3 4465/4885SLC1A2 4437/4885
US-20160037034-A1 NEAR-INFRARED-RAY-ABSORBING COMPOSITION, NEAR-INFRARED-RAY CUT FILTER USING SAME, MANUFACTURING METHOD THEREFOR, CAMERA MODULE, AND MANUFACTURING METHOD THEREFOR FAR1, SLC39A11, NOTUM ALDH1A1 357/4885SLC1A3 3315/4885SLC1A2 3525/4885

“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.