SCHEMBL3329675

SCHEMBL3329675

CCOc1c(O)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 2/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 6/20 0.44
GAA P10253 4/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
BLM P54132 1/20 0.40
RAB9A P51151 3/20 0.39

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
SCHEMBL1547567 0.87 L3MBTL1 (0.59) L3MBTL1KMT2AALDH1A1GAAMAPT
SCHEMBL2319403 0.87 CA1 (0.48) TSHRKMT2AALDH1A1GAACA12
SCHEMBL9698386 0.80 NR5A1 (0.47) L3MBTL1TSHRKMT2AALDH1A1MAPT
SCHEMBL9699724 0.80 NR5A1 (0.47) L3MBTL1TSHRKMT2AALDH1A1MAPT
SCHEMBL34475986 0.79 ALDH1A1 (0.45) L3MBTL1TSHRKMT2AALDH1A1GAA
SCHEMBL12129099 0.79 KDM4E (0.62) L3MBTL1TSHRKMT2AGAAMAPT
SCHEMBL1835919 0.79 ALDH1A1 (0.45) L3MBTL1TSHRKMT2AALDH1A1GAA
SCHEMBL11336303 0.79 L3MBTL1 (0.49) L3MBTL1KMT2AALDH1A1GAAMAPT
SCHEMBL8072909 0.79 ALDH1A1 (0.49) TSHRALDH1A1GAACA12CA1
SCHEMBL2525928 0.79 L3MBTL1 (0.62) L3MBTL1KMT2AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 US disclosed
EP-0118377-B1 PROCESS FOR THE PRODUCTION OF METACHLORINATED PHENOLS RHONE-POULENC CHIMIE (FR) 1988-03-09 EP disclosed
US-4540834-A HYDRODECHLORINATION OF POLYCHLOROPHENOL, HYDRIOTIC ACID RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-09-10 US disclosed
EP-0118377-A2 Process for the production of metachlorinated phenols RHONE-POULENC CHIMIE (FR) 1984-09-12 EP disclosed
EP-0055196-B1 PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-18 EP disclosed
EP-0055198-B1 PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-04 EP disclosed
EP-0055197-B1 PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-04 EP disclosed
US-4410738-A Preparation of meta-chlorophenols by selective hydrodechlorination of polychlorophenols RHONE-POULENC INDUSTRIES (FR) 1983-10-18 US disclosed
US-4410737-A Preparation of meta-chlorophenols by selective hydrodechlorination of polychlorophenols RHONE-POULENC INDUSTRIES (FR) 1983-10-18 US disclosed
US-4410739-A LEWIS ACID, NOBLE METAL CATALYST RHONE-POULENC INDUSTRIES (FR) 1983-10-18 US disclosed
EP-0055197-A1 Process for the synthesis of metachlorophenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-30 EP disclosed
EP-0055196-A1 Process for the synthesis of metachlorophenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-30 EP disclosed
EP-0055198-A1 Process for the synthesis of metachlorophenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-30 EP 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 (3 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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 L3MBTL1 3633/4885TSHR 3672/4885KMT2A 3249/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 L3MBTL1 2780/4885TSHR 4580/4885KMT2A 828/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B L3MBTL1 3961/4885TSHR 3645/4885KMT2A 2356/4885

“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.