SCHEMBL8629559

SCHEMBL8629559

CCc1cc(CC)c(I)c(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
BACE1 P56817 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
TP53 P04637 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8631935 0.85 HSPA5 (0.33) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL25681231 0.79 KDM4E (0.37) MAPT
SCHEMBL4481186 0.78 KMT2A (0.34) HSPA5GAAKMT2AGRIN2DGRIN3B
SCHEMBL10477405 0.76 PTPN1 (0.39) MEN1KMT2APTGS2BACE1ALDH1A1
SCHEMBL13683276 0.76 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18242007 0.76 HSPA5 (0.36) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL3658093 0.76 GABRA1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11700719 0.76 RXRA (0.36) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL13019661 0.74 PTGS2 (0.37) HSPA5PTGS2RXRARXRBTP53
SCHEMBL1760666 0.74 DHFR (0.44) HSPA5MEN1GAAKMT2APTGS2

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-20230320190-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-05 US disclosed
US-20230134873-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-04 US disclosed
US-10871711-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-12-22 US disclosed
US-10683453-B2 Organic compounds with soluble groups MERCK PATENT GMBH (DE) 2020-06-16 US disclosed
EP-3230403-B1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS MERCK PATENT GMBH (DE) 2019-10-09 EP disclosed
US-20190094690-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-03-28 US disclosed
US-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS UDC IRELAND LIMITED (IE) 2017-12-28 US disclosed
EP-0718291-B1 Method for the preparation of triazole compounds CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-07-08 EP disclosed
US-5567825-A Method for the preparation of a triazole compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-10-22 US disclosed
EP-0718291-A1 Method for the preparation of triazole compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-06-26 EP 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 (2 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-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS SLCO4C1, SLCO1B3, SLCO2B1 HSPA5 3434/4885MEN1 1179/4885GAA 2563/4885
US-10683453-B2 Organic compounds with soluble groups SLCO4C1, SLCO1B3, SLCO2B1 HSPA5 3434/4885MEN1 1179/4885GAA 2563/4885

“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.