SCHEMBL2857877

SCHEMBL2857877

COc1ccc(Oc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.77
ALDH1A1 P00352 1/20 0.69
KMO O15229 1/20 0.64
KDM4E B2RXH2 2/20 0.63
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
POLB P06746 1/20 0.62
CYP2C9 P11712 1/20 0.62
TP53 P04637 1/20 0.59
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MRGPRX4 Q96LA9 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
PGR P06401 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
PPARG P37231 1/20 0.58

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
SCHEMBL2867923 0.91 AKR1C3 (0.73) AKR1C3ALDH1A1KMOKDM4ERAB9A
SCHEMBL1042631 0.91 AKR1C3 (0.92) AKR1C3ALDH1A1KMOKDM4ERAB9A
SCHEMBL30266789 0.91 AKR1C3 (0.92) AKR1C3ALDH1A1KMOKDM4ERAB9A
SCHEMBL9618429 0.90 KDM4E (0.70) AKR1C3ALDH1A1KMOKDM4ERAB9A
SCHEMBL29546656 0.89 AKR1C3 (0.96) AKR1C3KMOKDM4ERAB9ANPC1
SCHEMBL28701196 0.89 AKR1C3 (0.96) AKR1C3KMOKDM4ERAB9ANPC1
SCHEMBL4320685 0.89 AKR1C3 (0.96) AKR1C3KMOKDM4ERAB9ANPC1
P-Anisic Acid SCHEMBL28062329 0.88 CA1 (0.71) AKR1C3ALDH1A1KDM4ERAB9ANPC1
SCHEMBL30307447 0.87 AKR1C3 (0.85) AKR1C3KMOKDM4ERAB9ANPC1
SCHEMBL16429240 0.87 AKR1C3 (0.85) AKR1C3KMOKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196214-B2 Process for arylamine production XEROX CORPORATION (US) 2007-03-27 US claimed
US-20060111582-A1 Process for arylamine production XEROX CORPORATION (US) 2006-05-25 US claimed
EP-3112343-B1 AMIDE DERIVATIVES UNIV TOHOKU (JP) 2023-03-29 EP disclosed
US-11040937-B2 Amide derivative TOHOKU UNIVERSITY (JP) 2021-06-22 US disclosed
CN-106029632-B Amide derivatives 国立大学法人东北大学 2019-06-21 CN disclosed
WO-2017063754-A1 CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS AS PIN1 MODULATORS POLYPHOR AG (CH) 2017-04-20 WO disclosed
WO-2017063755-A1 CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-04-20 WO disclosed
EP-3112343-A1 AMIDE DERIVATIVES Tohoku University (JP) 2017-01-04 EP disclosed
US-20160368860-A1 AMIDE DERIVATIVE TOHOKU UNIVERSITY (JP) 2016-12-22 US disclosed
CN-106029632-A Amide derivatives 国立大学法人东北大学 2016-10-12 CN disclosed
US-9149019-B2 Method of eliminating cat urine odor JMR, LC (US) 2015-10-06 US disclosed
US-5235064-A Leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-08-10 US disclosed
US-5214204-A Inhibitors of biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
WO-1993002037-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1993-02-04 WO disclosed
US-5171882-A Leukotriene antagonists ELI LILLY AND COMPANY (US) 1992-12-15 US disclosed
US-4992576-A Antiinflammatory, antiallergens ELI LILLY AND COMPANY (US) 1991-02-12 US disclosed
EP-0276064-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4946926-A INJECTION MOLDED ARTICLE, FIBER OR FILM OF A POLYLACTONE THE DOW CHEMICAL COMPANY (US) 1990-08-07 US disclosed
US-4945150-A Melt processable thermotropic aromatic copolyester derived from hydroxy phenoxy benzoic acids and hydroxy benzoic acid THE DOW CHEMICAL COMPANY (US) 1990-07-31 US disclosed
EP-0276064-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 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 (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-20160368860-A1 AMIDE DERIVATIVE ARG1, PTMS, MLX AKR1C3 974/4885ALDH1A1 1014/4885KMO 4846/4885
US-11040937-B2 Amide derivative ARG1, PTMS, MLX AKR1C3 974/4885ALDH1A1 1014/4885KMO 4846/4885
US-20060111582-A1 Process for arylamine production AOC2, UFM1, TYR AKR1C3 2668/4885ALDH1A1 1029/4885KMO 162/4885

“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.