SCHEMBL18378265

SCHEMBL18378265

[O]CCCCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 4/20 0.51
▸ CES2 O00748 2/20 0.43
▸ POLQ O75417 8/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL18243408 0.95 DAO (0.52) DAOCES2POLQCYSLTR2CYSLTR1
SCHEMBL18377965 0.87 DAO (0.55) DAOCES2POLQIDO1RXRA
SCHEMBL4049679 0.83 DAO (0.48) DAOCES2POLQCYSLTR2CYSLTR1
SCHEMBL18242683 0.81 DAO (0.49) DAOCES2POLQIDO1
SCHEMBL3902853 0.81 DAO (0.49) DAOCES2POLQIDO1
SCHEMBL18243157 0.80 DAO (0.34) DAO
SCHEMBL29172379 0.80 CYSLTR2 (0.51) DAOCES2POLQCYSLTR2CYSLTR1
SCHEMBL3278364 0.80 CES2 (0.50) DAOCES2POLQIDO1RXRA
SCHEMBL18242232 0.78 DAO (0.33) DAO
SCHEMBL18242653 0.77 GPR17 (0.36) DAOCES2

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 DAO 24/4885CES2 1419/4885POLQ 1437/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 DAO 24/4885CES2 1419/4885POLQ 1437/4885

“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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