SCHEMBL1042428

SCHEMBL1042428

O=C(O)c1ccc(C(F)(F)F)cc1.[NaH]

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 5/20 0.83
▸ CES2 O00748 2/20 0.67
▸ CES1 P23141 2/20 0.67
▸ EPHX2 P34913 1/20 0.62
▸ RXRA P19793 1/20 0.62
▸ RXRB P28702 1/20 0.62
▸ RXRG P48443 1/20 0.62
▸ CYP2C8 P10632 1/20 0.61
▸ TP53 P04637 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ GSK3B P49841 2/20 0.55
▸ PTPN1 P18031 2/20 0.55
▸ NR4A1 P22736 1/20 0.55
▸ NR4A2 P43354 1/20 0.55
▸ NR4A3 Q92570 1/20 0.55
▸ MAP4K4 O95819 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL78879 0.98 SRD5A2 (0.87) SRD5A2CES2CES1EPHX2RXRA
SCHEMBL1330891 0.98 SRD5A2 (0.87) SRD5A2CES2CES1EPHX2RXRA
SCHEMBL23521062 0.95 SRD5A2 (0.83) SRD5A2CES2CES1EPHX2RXRA
Hydrochloric Acid SCHEMBL8432890 0.95 SRD5A2 (0.83) SRD5A2CES2CES1EPHX2RXRA
Water SCHEMBL28138640 0.95 SRD5A2 (0.83) SRD5A2CES2CES1EPHX2RXRA
SCHEMBL6762584 0.95 SRD5A2 (0.83) SRD5A2CES2CES1EPHX2RXRA
SCHEMBL29208531 0.95 SRD5A2 (0.83) SRD5A2CES2CES1EPHX2RXRA
Ethane SCHEMBL10971565 0.93 SRD5A2 (0.80) SRD5A2CES2CES1EPHX2RXRA
Ethylene SCHEMBL715322 0.93 SRD5A2 (0.80) SRD5A2CES2CES1EPHX2RXRA
SCHEMBL2766437 0.91 SRD5A2 (1.00) SRD5A2CES2CES1EPHX2RXRA

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5573708-A ACID-SUBSTITUTED PERFLUOROALKYLBENZENES UNION CHEMICAL CO., LTD. (JP) 1996-11-12 — — US claimed
EP-0569884-B1 Rust inhibitor UNION CHEMICAL CO LTD (JP) 1996-09-18 — — EP claimed
EP-0569884-A1 Rust inhibitor UNION CHEMICAL CO., LTD. (JP) 1993-11-18 — — EP claimed
CN-103755743-B Method for producing a ruthenium complex 高砂香料工业株式会社 2017-05-10 — — CN disclosed
CN-101676294-B Method for producing ruthenium complex TAKASAGO PERFUMERY CO LTD 2014-06-18 — — CN disclosed
CN-103755743-A Method for producing a ruthenium complex TAKASAGO PERFUMERY CO LTD 2014-04-30 — — CN disclosed
EP-2166014-B1 Method for producing a ruthenium complex TAKASAGO PERFUMERY CO LTD (JP) 2012-11-14 — — EP disclosed
US-7964744-B2 Method for producing a ruthenium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-06-21 — — US disclosed
EP-2275429-A2 Method for producing a ruthenium complex Takasago International Corporation (JP) 2011-01-19 — — EP disclosed
US-20100076210-A1 METHOD FOR PRODUCING A RUTHENIUM COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-03-25 — — US disclosed
CN-101676294-A Method for producing ruthenium complex TAKASAGO PERFUMERY CO LTD 2010-03-24 — — CN disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 — — WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 — — WO disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 — — WO disclosed
EP-0569884-B1 Rust inhibitor UNION CHEMICAL CO LTD (JP) 1996-09-18 — — EP disclosed
US-5487846-A FLUORINE-SUBSTITUTED BENZENE DERIVATIVES UNION CHEMICAL CO., LTD. (JP) 1996-01-30 — — US disclosed
EP-0569884-A1 Rust inhibitor UNION CHEMICAL CO., LTD. (JP) 1993-11-18 — — EP disclosed
EP-0466793-A1 CYCLOHEXADIENEDIOLS AND THEIR USE ENZYMATIX LTD. (GB) 1992-01-22 — — EP disclosed
WO-1990012798-A2 CYCLOHEXADIENEDIOLS AND THEIR USE ENZYMATIX LTD. (GB) 1990-11-01 — — WO 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-20100076210-A1 METHOD FOR PRODUCING A RUTHENIUM COMPLEX OGFRL1, OPRM1, OLA1 SRD5A2 485/4885CES2 3202/4885CES1 843/4885

“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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