SCHEMBL17429662

SCHEMBL17429662

COC(=O)c1ccccc1CCc1cc(C)cc(C)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CFTR P13569 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ TSPO P30536 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL17386307 0.87 LMNA (0.51) ALDH1A1LMNATSHRKMT2AHIF1A
SCHEMBL17429661 0.83 ALDH1A1 (0.59) ALDH1A1LMNATSHRKMT2AHIF1A
SCHEMBL17386141 0.82 ALDH1A1 (0.49) ALDH1A1LMNATSHRKMT2AHIF1A
SCHEMBL10360804 0.81 ALDH1A1 (0.77) ALDH1A1LMNATSHRKMT2AHIF1A
SCHEMBL16672908 0.79 ALDH1A1 (0.66) ALDH1A1LMNATSHRKMT2AHIF1A
SCHEMBL17429666 0.78 CCR6 (0.59) ALDH1A1LMNAHIF1AHSD17B10MAPT
SCHEMBL17386156 0.77 ALDH1A1 (0.52) ALDH1A1LMNATSHRKMT2AHIF1A
SCHEMBL1918904 0.75 ALDH1A1 (0.68) ALDH1A1LMNATSHRKMT2AHIF1A
SCHEMBL31567935 0.75 ALDH1A1 (0.68) ALDH1A1LMNATSHRKMT2AHIF1A
SCHEMBL28601825 0.74 XDH (0.41) ALDH1A1MAPTKDM4EPOLB

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 ALDH1A1 2066/4885LMNA 2845/4885TSHR 1867/4885

“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.

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