SCHEMBL1888264

SCHEMBL1888264

COc1ccc(Br)c(C)c1C=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.61
PRKDC P78527 1/20 0.48
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
AOX1 Q06278 1/20 0.38
PTPRF P10586 1/20 0.38
NQO2 P16083 1/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
FDPS P14324 1/20 0.36

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
SCHEMBL7864198 0.85 ERN1 (0.66) ERN1PRKDCALDH1A1TSHRMAPT
SCHEMBL8902570 0.84 ERN1 (0.48) ERN1PRKDCALDH1A1TSHRHPGD
SCHEMBL30826221 0.82 ERN1 (0.62) ERN1PRKDCALDH1A1TSHRMAPT
SCHEMBL5552745 0.81 ERN1 (0.61) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL9714789 0.80 ERN1 (0.46) ERN1PRKDCALDH1A1TSHRHPGD
SCHEMBL30853338 0.79 ERN1 (0.59) ERN1PRKDCALDH1A1TSHRMAPT
SCHEMBL276550 0.79 ERN1 (0.59) ERN1PRKDCALDH1A1TSHRMAPT
SCHEMBL31035804 0.79 ERN1 (0.59) ERN1PRKDCALDH1A1TSHRMAPT
SCHEMBL20480779 0.79 ERN1 (0.74) ERN1PRKDCALDH1A1TSHRHPGD
SCHEMBL6662766 0.79 ERN1 (0.47) ERN1PRKDCALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382312-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BORAH INC (US) 2025-12-18 US disclosed
US-12404286-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof BORAH, INC. (US) 2025-09-02 US disclosed
US-20240352045-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-10-24 US disclosed
CN-117242080-A Boron-containing pyrazole compounds, compositions comprising the same, methods and uses thereof 勃林格殷格翰动物保健美国公司 2023-12-15 CN disclosed
US-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2023-11-28 US disclosed
US-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2023-11-28 US disclosed
US-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2023-11-28 US disclosed
EP-4263559-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-10-25 EP disclosed
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BORAH, INC. 2022-06-23 US disclosed
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BORAH, INC. 2022-06-23 US disclosed
WO-2009127321-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH, (DE) 2009-10-22 WO disclosed
EP-2110374-A1 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators Merck Sante (FR) 2009-10-21 EP disclosed
EP-2110374-A1 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators Merck Sante (FR) 2009-10-21 EP disclosed
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 WO disclosed
US-6767923-B2 Benzhydryl derivatives BASF AKTIENGESELLSCHAFT (DE) 2004-07-27 US disclosed
EP-1308433-B1 Benzhydryl derivatives BASF AG (DE) 2004-04-28 EP disclosed
US-20030207938-A1 Such as 5-bromo-6,6'-dimethyl-2,2',3',4'-tetramethoxybenz-hydryl alcohol for controlling harmful phytopathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 US disclosed
EP-1308433-A1 Benzhydryl derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 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 (7 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ERN1 4124/4885PRKDC 3991/4885ALDH1A1 915/4885
US-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof JAK3, JAK1, JAK2 ERN1 1139/4885PRKDC 432/4885ALDH1A1 3977/4885
US-20250382312-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 ERN1 1139/4885PRKDC 432/4885ALDH1A1 3977/4885
US-20030207938-A1 Such as 5-bromo-6,6'-dimethyl-2,2',3',4'-tetramethoxybenz-hydryl alcohol for controlling harmful phytopathogenic fungi CBR1, CBR3, ADH5 ERN1 606/4885PRKDC 487/4885ALDH1A1 557/4885
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 ERN1 1139/4885PRKDC 432/4885ALDH1A1 3977/4885
US-20240352045-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 ERN1 1139/4885PRKDC 432/4885ALDH1A1 3977/4885
US-12404286-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof JAK3, JAK1, JAK2 ERN1 1139/4885PRKDC 432/4885ALDH1A1 3977/4885

“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.