Benzaldehyde

Benzaldehyde

SCHEMBL5084142

O=Cc1ccccc1.c1ccc(NC2=NCCN2)cc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 18/20 0.60
▸ ADRA2B P18089 18/20 0.60
▸ ADRA2C P18825 18/20 0.60
▸ PTGIR P43119 1/20 0.58
▸ ADRA1D P25100 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48

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
SCHEMBL1036359 0.87 ADRA2A (0.78) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL11180468 0.84 ADRA2A (0.85) ADRA2AADRA2BADRA2CPTGIRADRA1D
Benzophenone SCHEMBL5084127 0.79 ADRA2A (0.80) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL11283477 0.77 ADRA2A (0.61) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL13017193 0.77 ADRA2A (0.88) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL4687421 0.74 ADRA2A (0.70) ADRA2AADRA2BADRA2CPTGIR
Diphenylamine SCHEMBL329810 0.74 ALDH1A1 (0.70) —
SCHEMBL5803227 0.74 ADRA2A (0.88) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL11163847 0.74 ADRA2A (0.88) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5802197 0.74 PTGIR (1.00) ADRA2AADRA2BADRA2CPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194666-A1 Combination Treatment Methods MEDICAL RESEARCH COUNCIL (GB) 2008-08-14 — — US claimed
WO-2006106311-A2 COMBINATION TREATMENT METHODS FOR TREATING SEX-HORMONE DEPENDENT DISEASE AND FERTILITY TREATMENT MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2006-10-12 — — WO claimed
US-20060171945-A1 Ip receptor antagonists for the treatment of pathological uterine conditions UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH, THE (GB) 2006-08-03 — — US claimed
EP-1596858-A1 IP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PATHOLOGICAL UTERINE CONDITIONS Medical Research Council (GB) 2005-11-23 — — EP claimed
WO-2004071508-A1 IP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PATHOLOGICAL UTERINE CONDITIONS MEDICAL RESEARCH COUNCIL (GB) 2004-08-26 — — WO claimed
US-9321745-B2 Inhibition of neovascularization by inhibition of prostanoid IP receptors ALLERGAN, INC. (US) 2016-04-26 — — US disclosed
US-9295665-B2 Inhibition of neovascularization by simultaneous inhibition of prostanoid IP and EP4 receptors ALLERGAN, INC. (US) 2016-03-29 — — US disclosed
WO-2014143591-A9 INHIBITION OF NEOVASCULARIZATION BY SIMULTANEOUS INHIBITION OF PROSTANOID IP AND EP4 RECEPTORS ALLERGAN, INC. (US) 2014-10-16 — — WO disclosed
WO-2014143592-A1 INHIBITION OF NEOVASCULARIZATION BY INHIBITION OF PROSTANOID IP RECEPTORS ALLERGAN, INC. (US) 2014-09-18 — — WO disclosed
US-20140275200-A1 INHIBITION OF NEOVASCULARIZATION BY SIMULTANEOUS INHIBITION OF PROSTANOID IP AND EP4 RECEPTORS ALLERGAN, INC. (US) 2014-09-18 — — US disclosed
WO-2014143591-A1 INHIBITION OF NEOVASCULARIZATION BY SIMULTANEOUS INHIBITION OF PROSTANOID IP AND EP4 RECEPTORS ALLERGAN, INC. (US) 2014-09-18 — — WO disclosed
US-20140275238-A1 INHIBITION OF NEOVASCULARIZATION BY INHIBITION OF PROSTANOID IP RECEPTORS ALLERGAN, INC. (US) 2014-09-18 — — US disclosed
WO-2006106311-A2 COMBINATION TREATMENT METHODS FOR TREATING SEX-HORMONE DEPENDENT DISEASE AND FERTILITY TREATMENT MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2006-10-12 — — WO disclosed
US-20060171945-A1 Ip receptor antagonists for the treatment of pathological uterine conditions UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH, THE (GB) 2006-08-03 — — US disclosed
EP-1596858-A1 IP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PATHOLOGICAL UTERINE CONDITIONS Medical Research Council (GB) 2005-11-23 — — EP disclosed
WO-2004071508-A1 IP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PATHOLOGICAL UTERINE CONDITIONS MEDICAL RESEARCH COUNCIL (GB) 2004-08-26 — — 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 (3 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-20140275200-A1 INHIBITION OF NEOVASCULARIZATION BY SIMULTANEOUS INHIBITION OF PROSTANOID IP AND EP4 RECEPTORS PTGIR, PTGER4, PTGIS ADRA2A 324/4885ADRA2B 231/4885ADRA2C 779/4885
US-20080194666-A1 Combination Treatment Methods GNRHR, SHBG, FSHR ADRA2A 632/4885ADRA2B 806/4885ADRA2C 1127/4885
US-20140275238-A1 INHIBITION OF NEOVASCULARIZATION BY INHIBITION OF PROSTANOID IP RECEPTORS PTGIR, PTGIS, PTGFR ADRA2A 179/4885ADRA2B 135/4885ADRA2C 448/4885

“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.

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