SCHEMBL1729090

SCHEMBL1729090

FC(F)(F)c1ccc(Br)cc1.[MgH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CYP2A6 P11509 1/20 0.47
GSK3B P49841 2/20 0.46
PTPN1 P18031 1/20 0.46
KIF11 P52732 4/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
MGLL Q99685 1/20 0.44
AHR P35869 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL8909 0.97 TRPV1 (0.50) TRPV1CA1CA2CA5ACA9
SCHEMBL16626116 0.89 TRPV1 (0.46) TRPV1CA1CA2CA5ACA9
SCHEMBL2841466 0.89 KIF11 (0.61) TRPV1CA1CA2CA5ACA9
Bromobenzene SCHEMBL28432577 0.87 ALDH1A1 (0.62) TRPV1CA1CA2CA5ACA9
SCHEMBL25011793 0.83 TRPV1 (0.42) TRPV1CA1CA2CA5ACA9
SCHEMBL5982635 0.83 GLB1 (0.52) TRPV1CA1CA2CA5ACA9
SCHEMBL9262733 0.83 SLC6A4 (0.53) TRPV1CA1CA2CA5ACA9
Formic Acid SCHEMBL31514292 0.83 CES2 (0.46) TRPV1CA1CA2CA5ACA9
SCHEMBL8617788 0.83 KIF11 (0.47) TRPV1CA1CA2CA5ACA9
SCHEMBL27289737 0.83 CA1 (0.55) TRPV1CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908996-A A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond 烟台大学 2024-11-08 CN claimed
CN-119798292-A Polycyclic fusion molecule containing oxygen, boron and nitrogen coordination bonds and preparation method thereof 华侨大学 2025-04-11 CN disclosed
CN-118206440-A Efficient and convenient preparation method of diaryl ketone 中南民族大学 2024-06-18 CN disclosed
CN-117567511-A Complex, complex catalyst, and preparation method and application thereof 合肥中科科乐新材料有限责任公司 2024-02-20 CN disclosed
CN-117043165-A Metal coordinating photoactive compounds for transparent photovoltaic devices 无处不在能量公司 2023-11-10 CN disclosed
US-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2022-09-27 US disclosed
US-11066422-B2 Method of producing cycloalkyl(trifluoromethyl)benzene TORAY FINE CHEMICALS CO., LTD. (JP) 2021-07-20 US disclosed
CN-109096088-B Process for preparing fused ring indeno compounds 光学转变公司 2021-04-30 CN disclosed
US-20210053992-A1 METHOD OF PRODUCING CYCLOALKYL(TRIFLUOROMETHYL)BENZENE TORAY FINE CHEMICALS CO., LTD. (JP) 2021-02-25 US disclosed
US-10858366-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2020-12-08 US disclosed
WO-1998045263-A1 ANALOGS OF COCAINE GEORGETOWN UNIVERSITY (US) 1998-10-15 WO disclosed
US-5795901-A Insecticidal N-(substituted arylmethyl)-4- bis(substituted aryl)hydroxymethyl!piperidinium salts FMC CORPORATION (US) 1998-08-18 US disclosed
WO-1998000015-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1998-01-08 WO disclosed
US-5182381-A Intermediates for 3-keto-19-nor-Δ4,9 -steroids ROUSSEL ULCAF (FR) 1993-01-26 US disclosed
US-5064822-A Antiglucocorticoid ROUSSEL UCLAF (FR) 1991-11-12 US disclosed
US-4540686-A ANTIPROGESTERONES ROUSSEL UCLAF (FR) 1985-09-10 US disclosed
US-4477445-A ANTIGLUCOCORTICOIDS ROUSSEL UCLAF (FR) 1984-10-16 US disclosed
US-4387230-A Process for preparing a dihydropyridine derivative JOHN WYETH AND BROTHER LIMITED (GB) 1983-06-07 US disclosed
US-4265907-A Insecticidal hydroxylamine ethers MOBIL OIL CORPORATION (US) 1981-05-05 US disclosed
US-4105849-A [(Substituted )phenyl]phenylmethyl-1-(dialkylaminoalkyl)piperidines G. D. SEARLE & CO. (US) 1978-08-08 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 (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-10858366-B2 Tricyclic compounds useful to treat orthomyxovirus infections ZC3HAV1, OTC, THOP1 TRPV1 310/4885CA1 3547/4885CA2 1005/4885
US-11066422-B2 Method of producing cycloalkyl(trifluoromethyl)benzene HCN4, MAP2K4, GRHPR TRPV1 782/4885CA1 844/4885CA2 51/4885
US-20210053992-A1 METHOD OF PRODUCING CYCLOALKYL(TRIFLUOROMETHYL)BENZENE HCN4, MAP2K4, GRHPR TRPV1 782/4885CA1 844/4885CA2 51/4885
US-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections ZC3HAV1, OTC, THOP1 TRPV1 295/4885CA1 3067/4885CA2 840/4885

“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.