SCHEMBL402504

SCHEMBL402504

FC(F)(F)c1cccc(-c2ccco2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
NOTUM Q6P988 2/20 0.50
KEAP1 Q14145 1/20 0.49
PRMT6 Q96LA8 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.44
USP2 O75604 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC9A1 P19634 1/20 0.43
CES2 O00748 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL18161363 0.81 PRMT6 (0.50) ALDH1A1MAPTKEAP1PRMT6RAB9A
SCHEMBL13930791 0.80 NPC1 (0.61) ALDH1A1MAPTNOTUMGAAMAPK1
SCHEMBL4055539 0.80 GPR119 (0.45) ALDH1A1MAPTNOTUMRAB9AKDM4E
SCHEMBL28223487 0.80 TAAR1 (0.48) ALDH1A1MAPTKDM4ETSHRPIK3R1
SCHEMBL5205614 0.79 TAAR1 (0.55) ALDH1A1MAPTGAARAB9AKDM4E
SCHEMBL10316872 0.78 RXRA (0.50) ALDH1A1MAPTKEAP1GAAKDM4E
SCHEMBL22432020 0.77 PRMT6 (0.50) ALDH1A1MAPTKEAP1PRMT6MAPK1
SCHEMBL25795140 0.77 NOTUM (0.42) ALDH1A1MAPTNOTUMPRMT6RAB9A
SCHEMBL29678302 0.77 TSHR (0.58) ALDH1A1NOTUMMAPK1TSHRCES2
SCHEMBL1263144 0.77 TSHR (0.58) ALDH1A1NOTUMMAPK1TSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209449-B Inhibitors of the kynurenine pathway 库拉德夫制药私人有限公司 2019-02-01 CN claimed
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2008-06-26 US claimed
EP-1846387-A2 BIS-(COUMARIN) COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-10-24 EP claimed
WO-2006111858-A2 BIS-(COUMARIN) COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2006-10-26 WO claimed
EP-4570317-A2 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE Intervet International B.V. (NL) 2025-06-18 EP disclosed
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni INTERVET INC. (US) 2025-02-18 US disclosed
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease INTERVET INC. (US) 2024-12-03 US disclosed
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2024-09-03 US disclosed
CN-116349692-A Plant regulator for promoting root growth and application thereof 南京农业大学三亚研究院 2023-06-30 CN disclosed
CN-116349692-A Plant regulator for promoting root growth and application thereof 南京农业大学三亚研究院 2023-06-30 CN disclosed
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2023-01-05 US disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 WO disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 WO disclosed
US-4123529-A TREATMENT OF ASTHMA LILLY INDUSTRIES LIMITED (GB) 1978-10-31 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 (9 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF ALDH1A1 1216/4885MAPT 3948/4885NOTUM 2467/4885
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection SORD, HEXD, SNRPD1 ALDH1A1 1559/4885MAPT 3738/4885NOTUM 1637/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF ALDH1A1 1008/4885MAPT 3981/4885NOTUM 2574/4885
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity NOD1, NOD2, CASP1 ALDH1A1 2298/4885MAPT 309/4885NOTUM 556/4885
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni SORD, HEXD, SNRPD1 ALDH1A1 2263/4885MAPT 4017/4885NOTUM 1698/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 ALDH1A1 4016/4885MAPT 1941/4885NOTUM 2968/4885
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD ALDH1A1 845/4885MAPT 2194/4885NOTUM 841/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3907/4885MAPT 156/4885NOTUM 731/4885
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, BRD1 ALDH1A1 1962/4885MAPT 1823/4885NOTUM 744/4885

“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.