SCHEMBL3084308

SCHEMBL3084308

CCCN(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR6 P51684 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL27521379 0.89 DRD2 (0.47) ALDH1A1MAPTHPGDCHRM2CHRM1
SCHEMBL28459939 0.87 ALDH1A1 (0.58) ALDH1A1MAPTHPGDTP53CHRM2
SCHEMBL12311314 0.86 PAX8 (0.49) ALDH1A1MAPTHPGDCHRM2CHRM1
SCHEMBL9711647 0.85 SMN1; SMN2 (0.58) ALDH1A1MAPTHPGDTP53CHRM2
SCHEMBL12311342 0.84 ALDH1A1 (0.50) ALDH1A1MAPTHPGDCHRM2CHRM1
SCHEMBL11432478 0.84 TP53 (0.51) ALDH1A1TP53CHRM2CHRM1CHRM3
SCHEMBL5615999 0.83 NPC1 (0.50) ALDH1A1TP53CHRM2CHRM1CHRM3
SCHEMBL3083608 0.82 CCR6 (0.58) ALDH1A1MAPTHPGDTP53TSHR
SCHEMBL11430998 0.81 TSHR (0.50) ALDH1A1MAPTHPGDTP53CHRM2
SCHEMBL9359355 0.81 ALDH1A1 (0.53) ALDH1A1MAPTHPGDCHRM2CHRM1

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
US-11173480-B2 Catalyst in which metal is carried on inorganic porous body having hierarchical porous structure, and method for manufacturing said catalyst SNG INC. (JP) 2021-11-16 US disclosed
US-20200246779-A1 CATALYST IN WHICH METAL IS CARRIED ON INORGANIC POROUS BODY HAVING HIERARCHICAL POROUS STRUCTURE, AND METHOD FOR MANUFACTURING SAID CATALYST SNG INC. (JP) 2020-08-06 US disclosed
WO-2017190107-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-02 WO disclosed
US-7795166-B2 Functional group-selective hydrogenation catalyst and functional group-selective hydrogenation method N.E. CHEMCAT CORPORATION (JP) 2010-09-14 US disclosed
US-20070155617-A1 FUNCTIONAL GROUP-SELECTIVE HYDROGENATION CATALYST AND FUNCTIONAL GROUP-SELECTIVE HYDROGENATION METHOD N. E. CHEMCAT CORPORATION (JP) 2007-07-05 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-11173480-B2 Catalyst in which metal is carried on inorganic porous body having hierarchical porous structure, and method for manufacturing said catalyst TMEM63A, PORCN, PIEZO1 ALDH1A1 1819/4885MAPT 2851/4885HPGD 2326/4885
US-20200246779-A1 CATALYST IN WHICH METAL IS CARRIED ON INORGANIC POROUS BODY HAVING HIERARCHICAL POROUS STRUCTURE, AND METHOD FOR MANUFACTURING SAID CATALYST TMEM63A, PORCN, PIEZO1 ALDH1A1 1819/4885MAPT 2851/4885HPGD 2326/4885

“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.