SCHEMBL10173405

SCHEMBL10173405

CC(C)(C)c1ccc2oc(C(C)(C)C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.43
PON1 P27169 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GFER P55789 1/20 0.37
CYP26B1 Q9NR63 2/20 0.37
CYP26A1 O43174 1/20 0.37
STS P08842 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL10173404 0.84 ALDH1A1 (0.38) ADAM17PON1ALDH1A1ALOX15HPGD
SCHEMBL434873 0.80 MAOB (0.49) ALDH1A1MAPT
SCHEMBL8279310 0.80 DYRK1A (0.47) ADAM17PON1ALDH1A1ALOX15HPGD
SCHEMBL13923566 0.78 MAOB (0.50) ALDH1A1HSD17B10NPC1RAB9AKMT2A
SCHEMBL4790661 0.78 CA12 (0.46) ALOX15NPC1RAB9ASTSPKM
SCHEMBL21010771 0.78 ALDH1A1 (0.35) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL16482583 0.78 ADAM17 (0.46) ADAM17PON1ALDH1A1ALOX15HPGD
SCHEMBL13677505 0.77 NPC1 (0.45) ADAM17PON1ALDH1A1ALOX15HPGD
SCHEMBL23172755 0.76 APP (0.43) ALDH1A1ALOX15HSD17B10NPC1RAB9A
SCHEMBL14157792 0.76 ADAM17 (0.44) ADAM17PON1ALDH1A1ALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
US-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF GUANGZHOU HENOVCOM BIOSCIENCE CO. LTD. (CN) 2019-01-03 US disclosed
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 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-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF NR1H4, FXR1, GPBAR1 ADAM17 2508/4885PON1 3350/4885ALDH1A1 3079/4885
US-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 ADAM17 4655/4885PON1 2154/4885ALDH1A1 787/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ADAM17 4706/4885PON1 1765/4885ALDH1A1 800/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 ADAM17 3016/4885PON1 417/4885ALDH1A1 26/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ADAM17 4116/4885PON1 2909/4885ALDH1A1 3188/4885
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 ADAM17 538/4885PON1 176/4885ALDH1A1 4631/4885
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF FXR1, SLC10A1, NR1H4 ADAM17 3362/4885PON1 1429/4885ALDH1A1 1135/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ADAM17 860/4885PON1 3728/4885ALDH1A1 796/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ADAM17 4706/4885PON1 1765/4885ALDH1A1 800/4885

“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.