SCHEMBL170907

SCHEMBL170907

CC(C)Cc1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 2/20 0.35
CXCR5 P32302 1/20 0.35
ACHE P22303 1/20 0.35
MAOA P21397 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL172240 0.87 ACHE (0.44) GABRA1GABRB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL14484993 0.85 GABRA1 (0.50) GABRA1GABRB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3953513 0.85 EED (0.40) GABRA1GABRB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL23841325 0.85 GABRA1 (0.45) GABRA1GABRB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6883141 0.85 TAAR1 (0.55) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL14227249 0.82 SLC6A2 (0.50) GABRA1GABRB2SMN1; SMN2TAAR1SLC6A2
SCHEMBL12775591 0.82 SLC6A2 (0.50) SMN1; SMN2L3MBTL1SLC6A2SLC6A4MAOA
SCHEMBL2422907 0.81 GAA (0.38) GABRA1GABRB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL18400702 0.81 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL14478256 0.81 SLC6A2 (0.52) TAAR1SLC6A2SLC6A4MAOASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364121-A1 NIRAN INTERFERING DRUGS FOR SARS-COV-2 MUTANT THERAPY Atea Pharmaceuticals, Inc. (US) 2023-11-16 US disclosed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
EP-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 EP disclosed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230272197-A1 BIMODAL POLYETHYLENE COPOLYMERS CHEVRON PHILLIPS CHEMICAL COMPANY LP 2023-08-31 US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 US disclosed
US-7446125-B2 Derivatives of nitroproline compounds, processes of manufacture and uses in the treatment of integrin mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2008-11-04 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US disclosed
WO-2008072053-A2 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-06-19 WO disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US disclosed
WO-2008025694-A1 INHIBITORS FOR GLYT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 WO disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-4501746-A HERBICIDES; PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1985-02-26 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 (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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 GABRA1 1882/4885GABRB2 2786/4885KDM4E 3806/4885
US-20230364121-A1 NIRAN INTERFERING DRUGS FOR SARS-COV-2 MUTANT THERAPY NSUN2, ACE2, PNP GABRA1 3710/4885GABRB2 3185/4885KDM4E 2994/4885
US-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT GABRA1 163/4885GABRB2 184/4885KDM4E 1690/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP GABRA1 4307/4885GABRB2 4433/4885KDM4E 3971/4885
US-11738038-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP GABRA1 4307/4885GABRB2 4433/4885KDM4E 3971/4885
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 GABRA1 4719/4885GABRB2 4546/4885KDM4E 167/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GABRA1 611/4885GABRB2 729/4885KDM4E 1846/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 GABRA1 113/4885GABRB2 128/4885KDM4E 2021/4885

“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.