SCHEMBL7089751

SCHEMBL7089751

CCNCCCCCCCCNCC

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.80
CYP1A2 P05177 1/20 0.80
MEN1 O00255 1/20 0.73
GLA P06280 1/20 0.73
KMT2A Q03164 1/20 0.73
TSHR P16473 2/20 0.69
KDM1A O60341 5/20 0.68
ALDH1A1 P00352 1/20 0.53
SAT1 P21673 3/20 0.50
TP53 P04637 1/20 0.50
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
EPHX1 P07099 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41

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
SCHEMBL331540 1.00 CYP2C19 (0.80) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL13893419 1.00 CYP2C19 (0.80) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL19620508 1.00 CYP2C19 (0.80) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL332342 1.00 CYP2C19 (0.80) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL331498 1.00 CYP2C19 (0.80) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL7097560 0.96 CYP2C19 (0.87) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL7091884 0.96 CYP2C19 (0.87) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL7096788 0.96 CYP2C19 (0.87) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL7513770 0.96 CYP2C19 (0.87) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL7092406 0.96 CYP2C19 (0.87) CYP2C19CYP1A2MEN1GLAKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
US-20030166054-A1 Enhanced in vitro protein synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-04 US disclosed
US-4212964-A FOR ADHESIVES PHILLIPS PETROLEUM COMPANY (US) 1980-07-15 US disclosed
US-4212965-A MOLDING MATERIAL, HOT MELT ADHESIVES, COATINGS PHILLIPS PETROLEUM COMPANY (US) 1980-07-15 US disclosed
US-4207411-A TENSILE STRENGTH, DUCTILITY, AND TOUGHNESS PHILLIPS PETROLEUM COMPANY (US) 1980-06-10 US disclosed
US-4062909-A FIRE RETARDANTS MONSANTO COMPANY (US) 1977-12-13 US disclosed
US-4051087-A LAMINATES, ADHESIVES PHILLIPS PETROLEUM COMPANY (US) 1977-09-27 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 (1 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-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD CYP2C19 2854/4885CYP1A2 2966/4885MEN1 3984/4885

“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.