SCHEMBL24454293

SCHEMBL24454293

COC1(c2cc(C)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.34
▸ RAPGEF4 Q8WZA2 2/20 0.34
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ PGK1 P00558 1/20 0.30
▸ PGK2 P07205 1/20 0.30

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
SCHEMBL23113569 0.81 TSHR (0.35) SLC6A4SLC6A3SLC6A2
SCHEMBL22497913 0.81 NOTUM (0.44) SLC6A4SLC6A3NOTUMSLC6A2
SCHEMBL29659847 0.81 NOTUM (0.44) SLC6A4SLC6A3NOTUMSLC6A2
SCHEMBL23061350 0.79 TACR1 (0.34) OPRM1
SCHEMBL15726904 0.77 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6FFAR4
SCHEMBL22498044 0.76 P2RY14 (0.41) NOTUMOPRM1
SCHEMBL29659870 0.76 P2RY14 (0.41) NOTUMOPRM1
SCHEMBL22497949 0.75 NOTUM (0.56) HDAC3HDAC1HDAC2HDAC6NOTUM
SCHEMBL29659839 0.75 NOTUM (0.56) HDAC3HDAC1HDAC2HDAC6NOTUM
SCHEMBL24473938 0.75 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6FFAR4

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-20220159958-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-26 — — 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-20220159958-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS DDT, ACHE, NIT2 HDAC3 382/4885HDAC1 314/4885HDAC2 387/4885

“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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