SCHEMBL22820146

SCHEMBL22820146

CCc1ccc(-c2ccc(C(N)CC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.52
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP17A1 P05093 1/20 0.45
UCHL1 P09936 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
EGFR P00533 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 2/20 0.36
PTGS2 P35354 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL20209648 0.94 SLC6A4 (0.47) SLC6A4TSHRMAPK1ATMTDP1
SCHEMBL14169041 0.94 SLC6A4 (0.57) SLC6A4TSHRMAPK1ATMTDP1
SCHEMBL7619003 0.94 SLC6A4 (0.57) SLC6A4TSHRMAPK1ATMTDP1
Hydrochloric Acid SCHEMBL4935761 0.91 SLC6A4 (0.55) SLC6A4TSHRMAPK1ATMTDP1
Hydrochloric Acid SCHEMBL17710396 0.91 SLC6A4 (0.55) SLC6A4TSHRMAPK1ATMTDP1
SCHEMBL15127996 0.84 TSHR (0.42) SLC6A4TSHRMAPK1ATMTDP1
SCHEMBL18458496 0.83 SLC6A4 (0.38) SLC6A4TSHRCYP17A1CYP1A2CYP2C19
SCHEMBL23092069 0.82 SLC6A4 (0.70) SLC6A4MAPK1TDP1CYP1A2CYP2D6
SCHEMBL20209645 0.81 SLC6A4 (0.46) SLC6A4CYP17A1CYP1A2CYP2D6CYP2C19
SCHEMBL11296454 0.81 SLC6A4 (0.53) SLC6A4TDP1CYP17A1CYP2D6TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287272-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE DIC CORPORATION (JP) 2023-09-14 US disclosed
US-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound DIC CORPORATION (JP) 2023-08-29 US disclosed
US-20230131540-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT AND COMPOUND DIC CORPORATION (JP) 2023-04-27 US disclosed
US-20200399539-A1 POLYMERIZABLE COMPOUND AS WELL AS LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH INCLUDING POLYMERIZABLE COMPOUND DIC CORPORATION (JP) 2020-12-24 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 (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-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound OCIAD2, PKN2, SKP1 SLC6A4 3136/4885TSHR 4737/4885MAPK1 622/4885
US-20200399539-A1 POLYMERIZABLE COMPOUND AS WELL AS LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH INCLUDING POLYMERIZABLE COMPOUND OCIAD2, PKN2, SKP1 SLC6A4 3136/4885TSHR 4737/4885MAPK1 622/4885

“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.