SCHEMBL1230294

SCHEMBL1230294

FC(F)(F)C(F)(F)Oc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
MAPT P10636 3/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA5A P35218 1/20 0.33
LDHA P00338 1/20 0.33
CHRNA7 P36544 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KIF11 P52732 1/20 0.32
APP P05067 1/20 0.31

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
SCHEMBL11716929 0.98 MAPT (0.37) CYP2A6MAPTCA1CA2CA9
SCHEMBL4323037 0.86 CYP2A6 (0.38) CYP2A6MAPTCA1CA2CA9
SCHEMBL4320295 0.81 CYP2A6 (0.38) CYP2A6MAPTCA1CA2CA9
SCHEMBL21791780 0.80 CA1 (0.38) CYP2A6MAPTCA1CA2CA9
SCHEMBL10709647 0.80 MAPT (0.47) MAPTTRPV1ALDH1A1KDM4EMEN1
SCHEMBL220074 0.80 MAPT (0.47) CYP2A6MAPTCHRNA7ALDH1A1KDM4E
SCHEMBL11718412 0.79 MAPT (0.33) CYP2A6MAPTCA1CA2CA9
SCHEMBL7469958 0.78 MAPT (0.45) CYP2A6MAPTCHRNA7ALDH1A1KDM4E
SCHEMBL10603546 0.78 GAA (0.42) MAPTCA1CA2CA9APP
SCHEMBL23149109 0.77 ALDH1A1 (0.38) CYP2A6MAPTCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed
US-10472386-B2 Bile acid derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-11-12 US disclosed
EP-2731430-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-04-03 EP disclosed
EP-2731430-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-04-03 EP disclosed
US-20180237471-A1 BILE ACID DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-08-23 US disclosed
WO-2018152171-A1 BILE ACID DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-08-23 WO disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-9604942-B2 Preparation of haloalkoxyarylhydrazines and intermediates therefrom DOW AGROSCIENCES LLC (US) 2017-03-28 US disclosed
CN-103826452-B Pesticidal compositions and processes related thereto 陶氏益农公司 2017-02-01 CN disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-4294964-A IMMUNOSUPRESSIVE AGENTS ELI LILLY AND COMPANY (US) 1981-10-13 US disclosed
US-4224326-A 2-ARYL-1H-PERIMIDINES ELI LILLY AND COMPANY (US) 1980-09-23 US disclosed
US-4194899-A HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1980-03-25 US disclosed
EP-0002906-A2 Novel perimidines, their preparation, formulations and use as immunosuppressives ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed
US-4110099-A INHIBITOR FOR INTERNODEL GROWTH OF PLANTS ELI LILLY AND COMPANY (US) 1978-08-29 US disclosed
US-4043791-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-RE29367-E HERBICIDES, FUNGICIDES, 5-PYRIMIDINYL ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-4031119-A LUBRICANTS, GREASES, SEALS PONOMAREV ALEXEI IVANOVICH 1977-06-21 US disclosed
US-4002628-A HERBICIDES, PLANT FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1977-01-11 US disclosed
US-3967949-A Fluoroalkoxyphenyl-substituted nitrogen heterocycles as plant stunting agents ELI LILLY AND COMPANY (US) 1976-07-06 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-10472386-B2 Bile acid derivatives as FXR agonists and methods of use thereof NR1H4, GPBAR1, SLC10A1 CYP2A6 213/4885MAPT 2382/4885CA1 2692/4885
US-20180237471-A1 BILE ACID DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, GPBAR1, SLC10A1 CYP2A6 213/4885MAPT 2382/4885CA1 2692/4885

“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.