SCHEMBL18157953

SCHEMBL18157953

Cn1ccc(Cn2ccc(Cn3ccc(CN)n3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.46
GRIN2B Q13224 3/20 0.46
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
DRD2 P14416 1/20 0.39
BRD4 O60885 1/20 0.37
EPHX2 P34913 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
SCHEMBL348762 0.87
Hydrochloric Acid SCHEMBL1577150 0.85
Hydrochloric Acid SCHEMBL19555702 0.85 EPHX2 (0.42) KCNH2GRIN2BDDB1CRBNDRD2
SCHEMBL442894 0.76 PRMT5 (0.30)
SCHEMBL4324417 0.75
SCHEMBL19312574 0.72 KMT2A (0.35)
SCHEMBL18157977 0.71 EPHX2 (0.47) KCNH2GRIN2BDDB1CRBNBRD4
SCHEMBL17076762 0.71 KCNH2 (0.59) KCNH2GRIN2B
SCHEMBL5021207 0.71 KCNH2 (0.46) KCNH2GRIN2BDDB1CRBNDRD2
SCHEMBL20668497 0.71

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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 KCNH2 939/4885GRIN2B 3307/4885DDB1 1827/4885

“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.