SCHEMBL10778046

SCHEMBL10778046

CC(Oc1ccc(Cl)c2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
TSHR P16473 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
LMNA P02545 1/20 0.49
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
ESRRA P11474 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 2/20 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
SCHEMBL18321311 1.00 KMT2A (0.54) KMT2ATSHRNPC1RAB9AHTR2A
SCHEMBL10778105 0.87 TSHR (0.53) KMT2ATSHRNPC1RAB9ALMNA
SCHEMBL23368144 0.84 TSHR (0.54) KMT2ATSHRNPC1RAB9ALMNA
SCHEMBL18331090 0.84 TSHR (0.54) KMT2ATSHRNPC1RAB9ALMNA
SCHEMBL11335162 0.82 KMT2A (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL10781651 0.80 LMNA (0.63) KMT2ATSHRNPC1RAB9ALMNA
SCHEMBL571602 0.80 KDM4E (0.63) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL9129132 0.80 TSHR (0.58) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL503699 0.80 KMT2A (0.66) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL8935734 0.80 KMT2A (0.66) KMT2ATSHRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107820425-B Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2021-08-31 CN disclosed
EP-3307262-B1 COMPOUNDS FOR USE IN TREATING NEUROMUSCULAR DISORDERS NMD PHARMA AS (DK) 2021-05-19 EP disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 WO disclosed
EP-0109311-B1 N,N-DIALKYL-2-(4'-SUBSTITUTED-1'-NAPHTHOXY)PROPIONAMIDES STAUFFER CHEMICAL COMPANY (US) 1987-07-01 EP disclosed
US-4548641-A PREEMERGENCE HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1985-10-22 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-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 KMT2A 3718/4885TSHR 4744/4885NPC1 594/4885

“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.