SCHEMBL901802

SCHEMBL901802

CN(C)CCOc1cccc(C=O)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.59
CHRNA4 P43681 3/20 0.59
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
MAOA P21397 9/20 0.54
MAOB P27338 9/20 0.54
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
LTA4H P09960 1/20 0.50

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
SCHEMBL29658517 1.00 CHRNB2 (0.59) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL1427204 0.92 KDM4E (0.56) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL31528223 0.92 KDM4E (0.56) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL17687936 0.91 CHRNB2 (0.54) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL1427372 0.84 KDM4E (0.58) KDM4EMAOAMAOBBCHEACHE
SCHEMBL5543437 0.84 MAOA (0.66) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL30724528 0.83 MAOA (0.64) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL29955687 0.81 MAOA (0.58) KDM4EALDH1A1LMNAMAOAMAOB
SCHEMBL910596 0.81 MAOA (0.58) KDM4EALDH1A1LMNAMAOAMAOB
SCHEMBL8716037 0.81 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12433872-B2 Treatment of Acanthamoeba or Balamuthia trophozoites and/or cysts GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2025-10-07 US disclosed
US-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF PRISM MEDICINES, INC. 2025-01-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2023-03-21 US disclosed
CN-115279741-A 4-phenyl-N- (phenyl) thiazol-2-amine derivatives and related compounds as Aryl Hydrocarbon Receptor (AHR) agonists for the treatment of, for example, angiogenesis-related disorders or inflammatory disorders 医肯纳肿瘤学公司 2022-11-01 CN disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
EP-1000925-A1 TRIPHENYLMETHANE DERIVATIVES AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-17 EP disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO disclosed
EP-0813534-A4 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-06-10 EP disclosed
EP-0813534-A1 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 WO disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed
US-4336374-A HYPOGLYCEMIC AGENTS NIPPON SHINYAKU CO., LTD. (JP) 1982-06-22 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 (5 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-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA4 1024/4885KDM4E 2120/4885
US-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA4 1024/4885KDM4E 2120/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA4 1024/4885KDM4E 2120/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA4 1024/4885KDM4E 2120/4885
US-12433872-B2 Treatment of Acanthamoeba or Balamuthia trophozoites and/or cysts PKD2, PKD1, MUC1 CHRNB2 4584/4885CHRNA4 4721/4885KDM4E 3891/4885

“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.