SCHEMBL4741129

SCHEMBL4741129

CC(C)(C)c1ccc(-c2ccccc2NC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
CHRM3 P20309 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL22388748 0.87 TRPV1 (0.56) TACR1CHRM3ALDH1A1HTTKDM4E
SCHEMBL9695830 0.84 ALDH1A1 (0.64) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL5112476 0.84 ALDH1A1 (0.58) TACR1CHRM3ALDH1A1HTTNPC1
SCHEMBL5100118 0.83 MAPT (0.60) ALDH1A1HTTKDM4ENPC1RAB9A
SCHEMBL265014 0.82 ALDH1A1 (0.62) ALDH1A1HTTKDM4EL3MBTL1ATM
SCHEMBL17796959 0.82 RXRA (0.51) TACR1CHRM3ALDH1A1HTTKDM4E
Bromomethane SCHEMBL5883760 0.81 ALDH1A1 (0.58) ALDH1A1HTTKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL380091 0.81 ALDH1A1 (0.61) ALDH1A1HTTKDM4EL3MBTL1ATM
Hydrochloric Acid SCHEMBL5883332 0.81 ALDH1A1 (0.61) ALDH1A1HTTKDM4EL3MBTL1ATM
SCHEMBL21652189 0.80 NPC1 (0.66) ALDH1A1KDM4ENPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP claimed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US claimed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US claimed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP claimed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
EP-3679013-B1 METHOD FOR MAKING ISOCYANATES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-29 EP disclosed
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP disclosed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US disclosed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP disclosed
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 US disclosed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 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-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 TACR1 9/4885CHRM3 2/4885ALDH1A1 1199/4885
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 TACR1 43/4885CHRM3 1/4885ALDH1A1 2948/4885

“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.