SCHEMBL6293295

SCHEMBL6293295

O=C(Cc1ccccc1)C([PH4])(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.57
▸ CES2 O00748 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ PAM P19021 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CTBP2 P56545 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 2/20 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
SCHEMBL27972005 0.80 CES1 (0.57) CES1CES2AKR1B1PAMMEN1
SCHEMBL28393908 0.79 CES1 (0.61) CES1CES2AKR1B1PAMMEN1
SCHEMBL30196221 0.78 CES1 (0.59) CES1CES2AKR1B1PAMMEN1
SCHEMBL1195864 0.76 CES1 (0.57) CES1CES2AKR1B1PAMMEN1
SCHEMBL29187272 0.74 CES1 (0.55) CES1CES2AKR1B1PAMMEN1
SCHEMBL22319310 0.74 CES1 (0.55) CES1CES2AKR1B1PAMMEN1
SCHEMBL28872149 0.74 CES1 (0.50) CES1CES2AKR1B1PAMMEN1
SCHEMBL9384330 0.73 CES1 (0.53) CES1CES2AKR1B1PAMMEN1
SCHEMBL1042453 0.72 CES1 (1.00) CES1CES2AKR1B1PAMMEN1
SCHEMBL5709778 0.72 CES1 (1.00) CES1CES2AKR1B1PAMMEN1

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-6894181-B2 Preparation of organohalosilanes SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-05-17 — — US disclosed
US-20030199705-A1 Preparation of organohalosilanes SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-10-23 — — 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-20030199705-A1 Preparation of organohalosilanes NISCH, PDCD2L, STOM CES1 3086/4885CES2 1886/4885AKR1B1 4333/4885

“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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