SCHEMBL3957944

SCHEMBL3957944

C1CCC2CCCC(CC1)C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 1/20 0.31
ADH1A P07327 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
NPC1 O15118 1/20 0.30
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9307017 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10HSD11B1ADH1ACES2
SCHEMBL29217487 0.96 ALDH1A1 (0.36) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL893232 0.96 ALDH1A1 (0.36) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL358694 0.96 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL22129579 0.96 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL893554 0.92 ALDH1A1 (0.33) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL893375 0.92 ALDH1A1 (0.33) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL20455768 0.92 ALDH1A1 (0.33) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL18239998 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL892736 0.92 ALDH1A1 (0.33) ALDH1A1HSD17B10HSD11B1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903614-A2 NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES Sphaera Pharma Pte. Ltd (SG) 2015-08-12 EP claimed
WO-2014054058-A2 NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES SPHAERA PHARMA PVT. LTD. (SG) 2014-04-10 WO claimed
US-20200339635-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-10-29 US disclosed
US-10723770-B2 Crystal structure of the large ribosomal subunit from S. aureus YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-07-28 US disclosed
US-20200131232-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-04-30 US disclosed
US-10556934-B2 Crystal structure of the large ribosomal subunit from S. aureus YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-02-11 US disclosed
EP-3250585-B1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RES & DEV (IL) 2019-08-14 EP disclosed
US-20180009853-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-01-11 US disclosed
EP-3250585-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS Yeda Research and Development Co., Ltd. (IL) 2017-12-06 EP disclosed
WO-2016120868-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-08-04 WO disclosed
US-7618999-B2 Process of obtaining taxosteroids and precursors thereof UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2009-11-17 US disclosed
US-7618999-B2 Process of obtaining taxosteroids and precursors thereof UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2009-11-17 US disclosed
EP-2086958-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2009-08-12 EP disclosed
WO-2009095522-A1 TAXANES, PRECURSORS THEREOF AND METHOD FOR OBTAINING SAME UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2009-08-06 WO disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed
US-20070185108-A1 PROCESS OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2007-08-09 US disclosed
US-20070185108-A1 PROCESS OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2007-08-09 US disclosed
EP-1642902-A2 METHOD OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2006-04-05 EP disclosed
EP-1642902-A2 METHOD OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2006-04-05 EP disclosed
EP-0122000-B1 METHOD OF DETECTING TEMPERATURE IN AN OBJECT CHILDREN'S HOSPITAL MEDICAL CENTER (US) 1990-07-18 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 (6 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-10723770-B2 Crystal structure of the large ribosomal subunit from S. aureus MRPS27, MRPS35, MRPS23 ALDH1A1 4855/4885HSD17B10 1795/4885HSD11B1 3748/4885
US-20200339635-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS MRPS27, MRPS35, MRPS23 ALDH1A1 4855/4885HSD17B10 1795/4885HSD11B1 3748/4885
US-20200131232-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS MRPS27, MRPS35, MRPS23 ALDH1A1 4855/4885HSD17B10 1795/4885HSD11B1 3748/4885
US-20180009853-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS MRPS27, MRPS35, MRPS23 ALDH1A1 4855/4885HSD17B10 1795/4885HSD11B1 3748/4885
US-10556934-B2 Crystal structure of the large ribosomal subunit from S. aureus MRPS27, MRPS35, MRPS23 ALDH1A1 4855/4885HSD17B10 1795/4885HSD11B1 3748/4885
US-20070185108-A1 PROCESS OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF CYP11B1, CYP11B2, HSD3B2 ALDH1A1 1147/4885HSD17B10 45/4885HSD11B1 10/4885

“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.