SCHEMBL8105673

SCHEMBL8105673

COC(=O)C(O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.42
EPHX2 P34913 4/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
PEPD P12955 1/20 0.40
XPNPEP1 Q9NQW7 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39

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
SCHEMBL29201779 0.80 ALDH1A1 (0.51) ALDH1A1NPC1GLAEPHX2ITGB1
SCHEMBL5557567 0.79 MEN1 (0.43) ALDH1A1NPC1EPHX2PEPDXPNPEP1
SCHEMBL15535092 0.78 DPP4 (0.51) ALDH1A1NPC1GLAEPHX2ITGB1
SCHEMBL15149731 0.78 DPP4 (0.51) ALDH1A1NPC1GLAEPHX2ITGB1
SCHEMBL1628767 0.78 ALDH1A1 (0.50) ALDH1A1NPC1GLAEPHX2ITGB1
SCHEMBL5671926 0.75 ALDH1A1 (0.47) ALDH1A1EPHX2MEN1KMT2A
SCHEMBL4424458 0.74 ALDH1A1 (0.54) ALDH1A1NPC1EPHX2ITGB1ITGA4
SCHEMBL888273 0.74 ALDH1A1 (0.50) ALDH1A1NPC1EPHX2ITGB1ITGA4
SCHEMBL7978294 0.74 LMNA (0.44) ALDH1A1EPHX2MEN1KMT2A
SCHEMBL3292905 0.74 ALDH1A1 (0.42) ALDH1A1NPC1EPHX2ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133957-A1 IMMOBILIZED ENZYME AND USE THEREOF IN CONTINUOUS PRODUCTION 凯莱英生命科学技术(天津)有限公司 2023-07-20 WO disclosed
US-8809024-B2 Process for preparing dipeptidyl peptidase IV inhibitors and intermediates therefor ASTRAZENECA AB (SE) 2014-08-19 US disclosed
US-8809024-B2 Process for preparing dipeptidyl peptidase IV inhibitors and intermediates therefor ASTRAZENECA AB (SE) 2014-08-19 US disclosed
US-20130204012-A1 Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-08 US disclosed
US-20130204012-A1 Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-08 US disclosed
US-8361761-B2 Process for preparing dipeptidyl peptidase IV inhibitors and intermediates therefor BRISTOL MYERS-SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8361761-B2 Process for preparing dipeptidyl peptidase IV inhibitors and intermediates therefor BRISTOL MYERS-SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-10 US disclosed
US-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-10 US disclosed
US-20120276600-A1 Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-01 US disclosed
US-7705033-B2 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-27 US disclosed
US-20090018311-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 US disclosed
US-20090018311-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 US disclosed
US-7420079-B2 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7420079-B2 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7205432-B2 Process for the preparation of adamantane derivatives KEMFINE OY (FI) 2007-04-17 US disclosed
US-7205432-B2 Process for the preparation of adamantane derivatives KEMFINE OY (FI) 2007-04-17 US disclosed
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 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 (4 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-20090018311-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF DPP4, DPP3, DPP8 ALDH1A1 1007/4885NPC1 884/4885GLA 1373/4885
US-20120276600-A1 Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor DNPEP, DPP4, DPP8 ALDH1A1 403/4885NPC1 2261/4885GLA 3496/4885
US-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF DPP4, DPP3, DPP8 ALDH1A1 1007/4885NPC1 884/4885GLA 1373/4885
US-20130204012-A1 Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor DNPEP, DPP4, PEPD ALDH1A1 377/4885NPC1 2284/4885GLA 3582/4885

“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.