SCHEMBL6525290

SCHEMBL6525290

CCOc1c[c]ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.41
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTR7 P34969 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTPRC P08575 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ADRB1 P08588 1/20 0.36
NPC1 O15118 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL29196085 0.84 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTPTPRCGLA
SCHEMBL8088891 0.83 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTPTPRCMAPK1
SCHEMBL6667569 0.83 DRD1 (0.44) ADRB2L3MBTL1HTR7RAB9ATP53
SCHEMBL215578 0.82 ADORA3 (0.43) ALDH1A1ADORA3MAPTSMN1; SMN2RAB9A
SCHEMBL7962688 0.82 KDM4E (0.43) ADRB2ALDH1A1HTR7SMN1; SMN2RAB9A
SCHEMBL27270775 0.81 LTA4H (0.54) ALDH1A1MAPTSMN1; SMN2RAB9ATP53
SCHEMBL730864 0.81 CYP1A1 (0.45) ALDH1A1L3MBTL1ADORA1ADORA2AHTR7
SCHEMBL693820 0.80 CA12 (0.39) ADRB2ALDH1A1L3MBTL1HTR7MAPT
SCHEMBL444326 0.79 PTPRC (0.51) ADRB2ALDH1A1L3MBTL1HTR7MAPT
SCHEMBL27610647 0.78 PTPRC (0.48) ADRB2ALDH1A1L3MBTL1HTR7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
US-6399653-B1 METABOLISM DIORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
US-4267117-A INTERMEDIATES FOR 1A-HYDROXYLATED CALCIFEROLS THE UPJOHN COMPANY (US) 1981-05-12 US disclosed
US-4206131-A 1A-HYDROXYLATED CALCIFEROLS THE UPJOHN COMPANY (US) 1980-06-03 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ADRB2 25/4885ALDH1A1 204/4885L3MBTL1 3966/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ADRB2 29/4885ALDH1A1 256/4885L3MBTL1 4039/4885

“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.