Stegane

Stegane

SCHEMBL5014561

COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C[C@H]1COC(=O)[C@@H]1C2)OCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53
TUBA1C Q9BQE3 2/20 0.53
TUBB6 Q9BUF5 2/20 0.53
TUBB2B Q9BVA1 2/20 0.53
TUBB1 Q9H4B7 2/20 0.53
ADRA1A P35348 2/20 0.50
DRD1 P21728 2/20 0.50
HTR2A P28223 2/20 0.50
ADRB1 P08588 1/20 0.50
ADRA2A P08913 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
Picrostegane SCHEMBL14097820 1.00 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14624873 0.90 ACHE (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7438626 0.86 ATM (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9951919 0.84 GSK3B (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5014622 0.80 CYP3A4 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14097830 0.80 CYP3A4 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Steganacin SCHEMBL14138211 0.76 LMNA (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Steganacin SCHEMBL66054 0.76 LMNA (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
(-)-Steganacin SCHEMBL10065023 0.76 LMNA (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14625258 0.76 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907380-A2 PROCESS TO OBTAIN SYNTHETIC AND SEMI-SYNTHETIC LIGNAN DERIVATIVES, THEIR ANTIPARASITIC ACTIVITIES AND CORRESPONDING PHARMACEUTICAL FORMULATIONS, INCLUDING THE THERAPEUTIC METHOD USING SAID LIGNAN FOR THE TREATMENT OF PARASITOSIS Fundação de Amparo à Pesquisa do Estado de São Paulo - FAPESP (BR) 2008-04-09 EP claimed
WO-2007009201-A2 PROCESS TO OBTAIN SYNTHETIC AND SEMI-SYNTHETIC LIGNAN DERIVATIVES, THEIR ANTIPARASITIC ACTIVITIES AND CORRESPONDING PHARMACEUTICAL FORMULATIONS, INCLUDING THE THERAPEUTIC METHOD USING SAID LIGNAN FOR THE TREATMENT OF PARASITOSIS Fundação De Amparo À Pesquisa Do Estado de São Paulo (BR) 2007-01-25 WO claimed
EP-1487770-B1 FORMATION OF NEOLIGNAN BY DDQ MEDIATED DIMERISATION OF DIHYDROASARONE COUNCIL SCIENT IND RES (IN) 2007-12-12 EP disclosed
US-6969778-B2 DDQ mediated one step dimerization of β-asarone or β-asarone rich Acorus calamus oil in the formation of novel neolignan COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-11-29 US disclosed
EP-1487770-A1 FORMATION OF NEOLIGNAN BY DDQ MEDIATED DIMERISATION OF DIHYDROASARONE Council of Scientific and Industrial Research;an Indian Reg. body incorporated under Reg. of Societies Act (Act XXI of 1860) (IN) 2004-12-22 EP disclosed
US-20040049085-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2004-03-11 US disclosed
US-20030187306-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-10-02 US disclosed
WO-2003080551-A1 FORMATION OF NEOLIGNAN BY DDQ MEDIATED DIMERISATION OF DIHYDROASARONE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-02 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 (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-20040049085-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan DHPS, PTGES, PTGIS TUBB4A 1649/4885TUBB 1918/4885TUBA3C 2076/4885
US-20030187306-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan DHPS, PTGES, PTGIS TUBB4A 1649/4885TUBB 1918/4885TUBA3C 2076/4885

“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.