SCHEMBL403043

SCHEMBL403043

COC(=O)C=Cc1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
TYR P14679 1/20 0.70
CA7 P43166 1/20 0.70
CA9 Q16790 1/20 0.70
CA14 Q9ULX7 1/20 0.70
PTPN1 P18031 1/20 0.60
TTR P02766 1/20 0.59
APP P05067 1/20 0.59
MAOB P27338 4/20 0.57
MAOA P21397 3/20 0.57
EPHX2 P34913 1/20 0.54
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
JAK2 O60674 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL403042 1.00 CA12 (0.70) CA12CA1CA2TYRCA7
SCHEMBL5259514 1.00 CA12 (0.70) CA12CA1CA2TYRCA7
SCHEMBL71224 0.90 CA12 (0.84) CA12CA1CA2TYRCA7
SCHEMBL5057418 0.90 CA12 (0.84) CA12CA1CA2TYRCA7
Acrylic Acid Methyl Ester SCHEMBL11002376 0.84 CA12 (0.51) CA12CA1CA2TYRCA7
Cyclopropane SCHEMBL11843649 0.83 CA12 (0.50) CA12CA1CA2TYRCA7
SCHEMBL2472987 0.82 CA12 (0.72) CA12CA1CA2TYRCA7
SCHEMBL504081 0.82 CA12 (0.72) CA12CA1CA2TYRCA7
Methyl P-Hydroxycinnamate SCHEMBL30463538 0.82 CA12 (1.00) CA12CA1CA2TYRCA7
Methyl P-Hydroxycinnamate SCHEMBL547438 0.82 CA12 (1.00) CA12CA1CA2TYRCA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084732-A 5-HTT/HDAC targeted double-target inhibitor and preparation method and application thereof 杭州师范大学 2024-05-28 CN claimed
CN-115594686-B Millpulin A derivative, preparation method and medical application thereof 沈阳药科大学 2023-10-13 CN claimed
CN-115594686-A Millpuline A derivatives, and preparation method and medical application thereof 沈阳药科大学(CN) 2023-01-13 CN claimed
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP claimed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US claimed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US claimed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP claimed
CN-106795327-A Resin composition and optical compensation film using the same 东曹株式会社 2017-05-31 CN claimed
US-20150274633-A2 PAIN RELIEF COMPOUNDS UNIVERSITÉ CLERMONT AUVERGNE (FR) 2015-10-01 US claimed
US-20150038466-A1 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2015-02-05 US claimed
CN-101774918-A Preparation method of cinnamate derivates UNIV HUAQIAO 2010-07-14 CN claimed
US-20260132144-A1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-05-14 US disclosed
US-20260035353-A1 PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE SPECIAL PRODUCTS LINE S P A (IT) 2026-02-05 US disclosed
CN-118834490-A Photo-crosslinkable perfluorinated ion membrane and preparation method thereof 上海交通大学 2024-10-25 CN disclosed
EP-4446309-A2 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2024-10-16 EP disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 WO disclosed
WO-2003011808-A1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMORAL AND PROAPOPTOTIC ACTIVITIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-13 WO disclosed
US-4713486-A ANTIALLERGENS BEECHAM GROUP P.L.C. (GB) 1987-12-15 US disclosed
EP-0109225-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1985-08-28 EP disclosed
EP-0109225-A1 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1984-05-23 EP 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 (4 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-20260035353-A1 PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE TLR7, GANC, ARG1 CA12 2859/4885CA1 4625/4885CA2 2440/4885
US-20150038466-A1 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 CA12 1462/4885CA1 324/4885CA2 332/4885
US-20150274633-A2 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 CA12 1462/4885CA1 324/4885CA2 332/4885
US-20260132144-A1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS CYP2C9, ODC1, AOC2 CA12 1889/4885CA1 2407/4885CA2 1387/4885

“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.