SCHEMBL385513

SCHEMBL385513

O=C1c2ccccc2CCC1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.53
CES1 P23141 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ACHE P22303 1/20 0.47
CYP2A6 P11509 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL1094690 1.00 CYP19A1 (0.53) CYP19A1CES1ALDH1A1KDM4EMAPT
SCHEMBL30707960 1.00 CYP19A1 (0.53) CYP19A1CES1ALDH1A1KDM4EMAPT
SCHEMBL15291325 0.88 CYP2A6 (0.52) CYP19A1CES1ALDH1A1KDM4EMAPT
SCHEMBL13039620 0.81 DRD2 (0.56) CYP19A1CES1ACHECYP2A6MAOA
SCHEMBL30737574 0.81 ACHE (0.59) CYP19A1CES1KDM4EMAPTTSHR
SCHEMBL32679178 0.81 ACHE (0.59) CYP19A1CES1KDM4EMAPTTSHR
SCHEMBL388171 0.81 ACHE (0.59) CYP19A1CES1KDM4EMAPTTSHR
SCHEMBL32679177 0.81 ACHE (0.59) CYP19A1CES1KDM4EMAPTTSHR
SCHEMBL1093558 0.81 ACHE (0.59) CYP19A1CES1KDM4EMAPTTSHR
SCHEMBL7998826 0.81 ACHE (0.59) CYP19A1CES1KDM4EMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030147973-A1 The use of extracts and compounds derived from the plant Aristolochia taliscana and their analogues in the treatment of AIDS. ACHENBACH HANS (DE) 2003-08-07 US claimed
US-20020099086-A1 Use of extracts from aristolochia in the treatment of AIDS PROTEOME SCIENCES PLC 2002-07-25 US claimed
EP-1117415-A1 USE OF EXTRACTS FROM ARISTOLOCHIA IN THE TREATMENT OF AIDS PROTEOME SCIENCES PLC (GB) 2001-07-25 EP claimed
EP-1027344-A2 PHARMACEUTICAL COMPOUNDS ISOLATED FROM ARISTOLOCHIA TALISCANA PROTEOME SCIENCES PLC (GB) 2000-08-16 EP claimed
WO-2000006182-A1 USE OF EXTRACTS FROM ARISTOLOCHIA IN THE TREATMENT OF AIDS PROTEOME SCIENCES, INC. (US) 2000-02-10 WO claimed
WO-1999006388-A2 PHARMACEUTICAL COMPOUNDS ISOLATED FROM ARISTOLOCHIA TALISCANA PROTEOME SCIENCES PLC. (GB) 1999-02-11 WO claimed
CN-87104970-A The amino-5,6,7 that replaces, 8-tetralyl oxo acetate its preparation method and as the purposes of medicine 1988-02-03 CN claimed
CN-117242057-A Process for preparing intermediates useful in the synthesis of sphingosine-1-phosphate receptor agonists 株式会社LG化学 2023-12-15 CN disclosed
CN-117177964-A Novel process for preparing sphingosine-1-phosphate receptor agonists 株式会社LG化学 2023-12-05 CN disclosed
CN-110545807-B Cannabinoid formulations for the treatment of dermatitis and inflammatory skin disorders 博塔尼克斯制药有限公司 2022-11-22 CN disclosed
CN-114222561-A Alkaline phosphatase formulations and uses thereof 合成生物制品有限公司 2022-03-22 CN disclosed
CN-111328331-A Compositions and methods for decolonizing antibiotic-resistant bacteria in the intestinal tract 芬奇治疗公司 2020-06-23 CN disclosed
CN-111328284-A Compositions and methods for maintaining and restoring a healthy intestinal barrier 芬奇治疗公司 2020-06-23 CN disclosed
US-5149703-A Anti-asthma, allergen and inflammatory agents, cyctoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-09-22 US disclosed
US-5140047-A Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION (US) 1992-08-18 US disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed
US-4886898-A THROMOBOXANE ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
US-4868332-A ANTITHROMBOTIC, ANTIATHEROSCLEROTIC, ANTIISCHEMIC BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
CN-87107427-A The aminomethyl-5,6,7 that replaces, 8-naphthane oxo acetate, new midbody product, their preparation process and as the application of medicine 1988-06-22 CN disclosed
EP-0270929-A2 Substituted aminomethyl-5,6,7,8-tetrahydronaphthyl-oxy-acetic acids, intermediate products, process for their preparation and their use in pharmaceuticals BAYER AG (DE) 1988-06-15 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 (2 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-20020099086-A1 Use of extracts from aristolochia in the treatment of AIDS ATL3, APRT, LSS CYP19A1 374/4885CES1 1201/4885ALDH1A1 1193/4885
US-20030147973-A1 The use of extracts and compounds derived from the plant Aristolochia taliscana and their analogues in the treatment of AIDS. ATL3, ERG28, LSS CYP19A1 630/4885CES1 1299/4885ALDH1A1 1907/4885

“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.