SCHEMBL11157147

SCHEMBL11157147

COCCCC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
SIGMAR1 Q99720 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NAAA Q02083 1/20 0.43
FKBP1A P62942 3/20 0.41
LMNA P02545 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL7862370 0.98 CYP1A2 (0.54) CYP1A2SIGMAR1SMN1; SMN2NAAAFKBP1A
SCHEMBL6076883 0.98 CYP1A2 (0.52) CYP1A2SIGMAR1SMN1; SMN2NAAAFKBP1A
SCHEMBL13313166 0.93 CYP1A2 (0.54) CYP1A2SIGMAR1NAAAFKBP1AEPHX1
SCHEMBL6079639 0.93
SCHEMBL27625119 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1NAAAFKBP1AEPHX1
SCHEMBL13313184 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1NAAAFKBP1AEPHX1
SCHEMBL382926 0.91 CYP1A2 (0.50) CYP1A2SIGMAR1NAAAFKBP1AEPHX1
SCHEMBL30203249 0.88 SIGMAR1 (0.50) CYP1A2SIGMAR1NAAAFKBP1AEPHX1
SCHEMBL18414169 0.88 SIGMAR1 (0.50) CYP1A2SIGMAR1NAAAFKBP1AEPHX1
Formic Acid Methyl Ester SCHEMBL28278259 0.88 CYP1A2 (0.45) CYP1A2SIGMAR1SMN1; SMN2NAAAFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 US disclosed
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 US disclosed
US-20230150933-A1 BROAD SPECTRUM ANTIVIRALS AGAINST CORONAVIRUS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2023-05-18 US disclosed
US-11325901-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-05-10 US disclosed
US-11220497-B2 2022-01-11 US disclosed
WO-2021202460-A1 BROAD SPECTRUM ANTIVIRALS AGAINST CORONAVIRUS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-10-07 WO disclosed
US-20200231583-A1 Prostaglandin E Synthase Inhibitors and Methods for Utilizing the Same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-07-23 US disclosed
WO-2020069330-A2 INHIBITORS OF VAP-1 ACUCELA INC. (US) 2020-04-02 WO disclosed
EP-2847200-B1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
US-9150519-B2 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2015-10-06 US disclosed
US-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-07-14 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
WO-2010035905-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-04-01 WO disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-4420479-A 1-SUBSTITUTED, 2-AMINO-BENZIMIDAZOLES ELI LILLY AND COMPANY (US) 1983-12-13 US disclosed
EP-0091795-A1 Olefinic benzimidazoles ELI LILLY AND COMPANY (US) 1983-10-19 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 (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-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate LTC4S, LTB4R2, LTB4R CYP1A2 1146/4885SIGMAR1 2420/4885SMN1; SMN2 3918/4885
US-11325901-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 CYP1A2 46/4885SIGMAR1 1918/4885SMN1; SMN2 4027/4885
US-11220497-B2 PTGES, PTGS1, PTGES2 CYP1A2 39/4885SIGMAR1 1349/4885SMN1; SMN2 3823/4885
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 CYP1A2 4115/4885SIGMAR1 3806/4885SMN1; SMN2 3154/4885
US-20200231583-A1 Prostaglandin E Synthase Inhibitors and Methods for Utilizing the Same PTGES, PTGS1, PTGES2 CYP1A2 46/4885SIGMAR1 1918/4885SMN1; SMN2 4027/4885
US-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION ARSA, RAD51, ARID2 CYP1A2 1453/4885SIGMAR1 2675/4885SMN1; SMN2 1102/4885
US-20230150933-A1 BROAD SPECTRUM ANTIVIRALS AGAINST CORONAVIRUS SARS1, ZC3HAV1, POLL CYP1A2 1582/4885SIGMAR1 287/4885SMN1; SMN2 3872/4885
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 CYP1A2 46/4885SIGMAR1 1918/4885SMN1; SMN2 4027/4885

“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.