SCHEMBL17429686

SCHEMBL17429686

Cc1cc(C)c(Br)c(CC(C)(C)O)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSPA5 P11021 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.33
AMY1A P0DUB6 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL17386208 0.79 CA1 (0.34) LMNAALDH1A1
SCHEMBL6923614 0.75 SHBG (0.36) KDM4EL3MBTL1HSPA5CYP2C9CYP2C19
SCHEMBL17429682 0.73 FFAR4 (0.36) KDM4EL3MBTL1HSPA5CYP2C9CYP2C19
SCHEMBL3593411 0.73 GABRA1 (0.41) KDM4EL3MBTL1HSPA5CYP2C9CYP2C19
SCHEMBL6243403 0.73 KDM4E (0.38) KDM4EL3MBTL1HSPA5SMN1; SMN2LMNA
SCHEMBL2290449 0.73 ALDH1A1 (0.33) KDM4EL3MBTL1HSPA5CYP2C9CYP2C19
SCHEMBL3023153 0.72 TP53 (0.41) KDM4EL3MBTL1CYP2C9SMN1; SMN2LMNA
SCHEMBL156826 0.68 RAPGEF4 (0.45) KDM4EHSD17B10LMNAALDH1A1
SCHEMBL9747633 0.68 ALDH1A1 (0.39) KDM4EL3MBTL1HSPA5CYP2C9CYP2C19
SCHEMBL15262985 0.67 MAPT (0.35) ALDH1A1

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 2 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-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 KDM4E 3682/4885L3MBTL1 4322/4885HSPA5 2377/4885

“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.