SCHEMBL10149342

SCHEMBL10149342

COC(=O)C(C)=C1CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MMP2 P08253 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1189435 0.81 ALDH1A1 (0.42) KMT2APOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL19210151 0.80 KMT2A (0.37) KMT2APOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL14341342 0.79 IDO1 (0.41) KMT2APOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL15259645 0.78
SCHEMBL13751208 0.77 RECQL (0.36) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29138431 0.74 ALDH1A1 (0.39) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL29138432 0.72 SLC6A2 (0.38) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL2977303 0.72 HPGD (0.33) KMT2APOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL16967658 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1188054 0.70 KMT2A (0.37) KMT2APOLBSMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205652-B1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2022-03-09 EP disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-8835393-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-09-16 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20120270886-A1 INHIBITORS OF IAP KOEHLER MICHAEL F T (US) 2012-10-25 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-20110269696-A1 INHIBITORS OF IAPS GENENTECH INC. (US) 2011-11-03 US disclosed
US-20110218211-A1 AZAINDOLE INHIBITORS OF IAP GENENTECH, INC. (US) 2011-09-08 US disclosed
US-20110077265-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-03-31 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 US disclosed
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH INC. (US) 2010-05-27 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 (9 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-20110269696-A1 INHIBITORS OF IAPS XIAP, BIRC5, BIRC3 KMT2A 4292/4885POLB 4233/4885SMN1; SMN2 2051/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 KMT2A 4048/4885POLB 4068/4885SMN1; SMN2 2624/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 KMT2A 3374/4885POLB 4407/4885SMN1; SMN2 2479/4885
US-20120270886-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 KMT2A 3440/4885POLB 4336/4885SMN1; SMN2 2250/4885
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 KMT2A 3139/4885POLB 4329/4885SMN1; SMN2 2109/4885
US-20110218211-A1 AZAINDOLE INHIBITORS OF IAP XIAP, BIRC5, API5 KMT2A 2230/4885POLB 4543/4885SMN1; SMN2 2777/4885
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 KMT2A 3139/4885POLB 4329/4885SMN1; SMN2 2109/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 KMT2A 3431/4885POLB 2889/4885SMN1; SMN2 2913/4885
US-20110077265-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC2 KMT2A 3444/4885POLB 3470/4885SMN1; SMN2 1078/4885

“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.