SCHEMBL17418022

SCHEMBL17418022

COC(=O)c1ccc(CCO)c(-c2ccc(OCCCS(C)(=O)=O)cc2O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.40
PTGS2 P35354 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL17418047 0.90 MAPT (0.39) NPC1MAPTPTGS2FFAR1FFAR4
SCHEMBL17417955 0.84 PSMD10 (0.42) MAPTPTGS2FFAR1FFAR4ALDH1A1
SCHEMBL17432105 0.78 MAPT (0.43) NPC1MAPTALDH1A1HPGDCNR2
SCHEMBL17386175 0.76 KDM4E (0.46) NPC1MAPTTP53ALDH1A1HPGD
SCHEMBL1795779 0.76 MAPT (0.70) NPC1MAPTALDH1A1RAB9ACA1
SCHEMBL17386360 0.76 RAB9A (0.42) NPC1MAPTFFAR1ALDH1A1HPGD
SCHEMBL765490 0.75 FFAR1 (0.49) FFAR1FFAR4
SCHEMBL17385987 0.74 MAPT (0.41) NPC1MAPTPTGS2FFAR1FFAR4
SCHEMBL17400005 0.74 MAPT (0.51) NPC1MAPTTP53ALDH1A1CYP1A2
SCHEMBL17386025 0.72 ALDH1A1 (0.48) NPC1MAPTTP53ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 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 (1 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-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 NPC1 223/4885MAPT 2131/4885PTGS2 2011/4885

“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.