SCHEMBL4009680

SCHEMBL4009680

COc1cc(Br)ccc1OCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.65
POLB P06746 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TSHR P16473 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTGDR Q13258 1/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 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
SCHEMBL16294073 0.93 PTGDR2 (0.65) PTGDR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL16563675 0.85 SNCA (0.58) PTGDR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL21198233 0.85 APP (0.53) PTGDR2MEN1KMT2AHDAC1HDAC2
SCHEMBL3205836 0.85 L3MBTL1 (0.65) PTGDR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL30287224 0.84 LMNA (0.64) PTGDR2SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL10747497 0.84 LMNA (0.64) PTGDR2SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL31681587 0.83 POLB (0.54) PTGDR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL16564398 0.83 PPARA (0.56) PTGDR2POLBSMN1; SMN2KMT2ATSHR
SCHEMBL5106323 0.81 ALDH1A1 (0.65) PTGDR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL3198632 0.81 PTGDR2 (0.67) PTGDR2POLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034140-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2026-02-05 US disclosed
US-12453734-B2 Modulators of rho-associated protein kinase REDX PHARMA LIMITED (GB) 2025-10-28 US disclosed
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
US-11878020-B2 Modulators of Rho-associated protein kinase REDX PHARMA PLC (GB) 2024-01-23 US disclosed
CN-111655681-B Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases 莱德克斯制药公共有限公司 2024-01-05 CN disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 US disclosed
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 US disclosed
US-11497751-B2 Modulators of Rho-associated protein kinase REDX PHARMA PLC (GB) 2022-11-15 US disclosed
CN-111655681-A Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase 莱德克斯制药公共有限公司 2020-09-11 CN disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 WO disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 WO disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 WO disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 WO disclosed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO 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 (8 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-20260034140-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA PTGDR2 1129/4885POLB 4805/4885SMN1; SMN2 3119/4885
US-12453734-B2 Modulators of rho-associated protein kinase ROCK2, ROCK1, RHOA PTGDR2 900/4885POLB 4303/4885SMN1; SMN2 3144/4885
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA PTGDR2 900/4885POLB 4303/4885SMN1; SMN2 3144/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PTGDR2 9/4885POLB 1369/4885SMN1; SMN2 4606/4885
US-11497751-B2 Modulators of Rho-associated protein kinase ROCK2, ROCK1, RHOA PTGDR2 838/4885POLB 4409/4885SMN1; SMN2 3120/4885
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R PTGDR2 708/4885POLB 4351/4885SMN1; SMN2 2811/4885
US-11878020-B2 Modulators of Rho-associated protein kinase ROCK2, ROCK1, RHOA PTGDR2 900/4885POLB 4303/4885SMN1; SMN2 3144/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA PTGDR2 900/4885POLB 4303/4885SMN1; SMN2 3144/4885

“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.