SCHEMBL19268144

SCHEMBL19268144

COC(OC)(c1ccccc1)C(C)(C)C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.61
▸ SRC P12931 1/20 0.47
▸ KCNN4 O15554 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ DAO P14920 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL1487886 0.78 CES1 (0.65) CES1SRCKCNN4TSHRTDP1
Water SCHEMBL8542684 0.76 CES1 (0.62) CES1SRCKCNN4TSHRTDP1
SCHEMBL1679763 0.76 CES1 (1.00) CES1SRCKCNN4TSHRTDP1
SCHEMBL18259095 0.76 CES1 (0.52) CES1SRCKCNN4TSHRALDH1A1
SCHEMBL10800215 0.76 CES1 (0.67) CES1SRCKCNN4TSHRTDP1
SCHEMBL15173 0.76 CES1 (1.00) CES1SRCKCNN4TSHRTDP1
SCHEMBL3661644 0.75 CES1 (0.60) CES1SRCKCNN4TSHRTDP1
SCHEMBL10090157 0.75 CES1 (0.60) CES1SRCKCNN4TSHRTDP1
SCHEMBL8332006 0.75 CES1 (0.60) CES1SRCKCNN4TSHRTDP1
SCHEMBL277653 0.74 CES1 (0.65) CES1SRCKCNN4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170241998-A1 METHOD FOR THE IMMOBILIZATION OF BIOMOLECULES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2017-08-24 — — 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-20170241998-A1 METHOD FOR THE IMMOBILIZATION OF BIOMOLECULES PTMS, BTD, SPR CES1 2756/4885SRC 2070/4885KCNN4 4486/4885

“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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