SCHEMBL1836123

SCHEMBL1836123

CCc1ccccc1OC(=O)Nc1ccccc1Cc1ccccc1NC(=O)Oc1ccccc1CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ FAAH O00519 1/20 0.43

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
SCHEMBL1836314 0.90 THRA (0.43) HTTL3MBTL1POLBFAAHKMT2A
SCHEMBL1836423 0.87 THRA (0.50) L3MBTL1SMN1; SMN2POLBFAAH
SCHEMBL1835368 0.86 L3MBTL1 (0.47) L3MBTL1MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL1838252 0.86 THRA (0.55) POLBFAAH
SCHEMBL1842680 0.85 THRA (0.57) POLBFAAH
SCHEMBL1839808 0.85 THRA (0.57) POLBFAAH
SCHEMBL1836186 0.85 THRA (0.57) POLBFAAH
SCHEMBL15093443 0.82 NLRP3 (0.56) HTTL3MBTL1MAPTSMN1; SMN2HDAC3
SCHEMBL31105729 0.82 ALDH1A1 (0.57) L3MBTL1MAPTGAAALDH1A1FAAH
SCHEMBL9326227 0.82 ALDH1A1 (0.57) L3MBTL1MAPTGAAALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 — — US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 — — 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 (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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH HTT 423/4885L3MBTL1 4602/4885MAPT 2458/4885

“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.

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