SCHEMBL17836967

SCHEMBL17836967

CCC(c1ccccc1)c1cccc(C(CC)c2ccccc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.45
HRH1 P35367 6/20 0.45
LMNA P02545 2/20 0.45
TAAR1 Q96RJ0 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AOC3 Q16853 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
SLC6A4 P31645 1/20 0.39
POLB P06746 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 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
SCHEMBL28261050 0.87 TSHR (0.48) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL11205377 0.84 HTR2A (0.54) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL11706315 0.83 HTR2A (0.45) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL7645209 0.82 ALDH1A1 (0.37) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL20696107 0.80 TSHR (0.53) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL10777918 0.80 CYP1A2 (0.42) LMNATDP1TSHRCYP1A2
SCHEMBL486873 0.78 TSHR (0.42) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL6542924 0.78 CD44 (0.43) LMNATAAR1TDP1TSHRCYP1A2
SCHEMBL54346 0.78 HTR2A (0.59) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL17064323 0.77 HTR2A (0.43) HTR2AHRH1LMNATAAR1TDP1

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-9656256-B2 N-heterocyclic carbene type palladium catalyst and its preparation method as well as applications SHANGHAI RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2017-05-23 US disclosed
US-20160175828-A1 N-HETEROCYCLIC CARBENE TYPE PALLADIUM CATALYST AND ITS PREPARATION METHOD AS WELL AS APPLICATIONS SHANGHAI RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2016-06-23 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-20160175828-A1 N-HETEROCYCLIC CARBENE TYPE PALLADIUM CATALYST AND ITS PREPARATION METHOD AS WELL AS APPLICATIONS DDC, AOC1, GNE HTR2A 2326/4885HRH1 200/4885LMNA 2024/4885

“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.