SCHEMBL466440

SCHEMBL466440

CC1(CC2CCCO2)[CH]CCO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 4/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.32
HTR5A P47898 1/20 0.32
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 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
SCHEMBL1444277 0.68 KMT2A (0.35) ALDH1A1HPGDTSHRHSD17B10KMT2A
SCHEMBL12840 0.61
SCHEMBL178378 0.61
SCHEMBL170737 0.61
SCHEMBL9432463 0.61
SCHEMBL21937559 0.61 EPHX1 (0.35)
SCHEMBL2002222 0.60 EPHX1 (0.42) ALDH1A1HPGDTSHRKMT2AHTT
SCHEMBL1189847 0.60 ALDH1A1 (0.42) ALDH1A1HPGDTSHRKMT2AHTT
Fluoride SCHEMBL28553579 0.60 KMT2A (0.39) ALDH1A1HPGDTSHRHSD17B10KMT2A
Propane SCHEMBL28454658 0.60 EPHX1 (0.48) ALDH1A1HPGDTSHRHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931412-B2 JAK1 inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2024-03-19 US disclosed
US-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2021-11-04 US disclosed
US-10973913-B2 JAK inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2021-04-13 US disclosed
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-09-10 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2146968-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-27 EP disclosed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
EP-2142513-A1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US disclosed
WO-2008128981-A1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128983-A1 CYANO-GUANIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 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 (8 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-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 ALDH1A1 1074/4885HPGD 1600/4885TSHR 3149/4885
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT ALDH1A1 1847/4885HPGD 1362/4885TSHR 1233/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ALDH1A1 2195/4885HPGD 267/4885TSHR 2954/4885
US-10973913-B2 JAK inhibitors and uses thereof JAK2, JAK1, JAK3 ALDH1A1 2806/4885HPGD 923/4885TSHR 2654/4885
US-11931412-B2 JAK1 inhibitors and uses thereof JAK1, JAK3, JAK2 ALDH1A1 1366/4885HPGD 1484/4885TSHR 3107/4885
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT ALDH1A1 1847/4885HPGD 1362/4885TSHR 1233/4885
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: MAPT, SLC10A1, REN ALDH1A1 547/4885HPGD 3430/4885TSHR 1193/4885
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 ALDH1A1 2806/4885HPGD 923/4885TSHR 2654/4885

“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.