SCHEMBL18158044

SCHEMBL18158044

NC(c1cccc(C(F)(F)F)n1)C(Cc1cccc(C(F)(F)F)n1)c1cccc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.42
P2RX7 Q99572 1/20 0.37
MBOAT4 Q96T53 1/20 0.35
MAOB P27338 1/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
IDH1 O75874 5/20 0.31
HRH4 Q9H3N8 2/20 0.31
ADORA2A P29274 1/20 0.31
GLS O94925 1/20 0.31
SLC6A4 P31645 1/20 0.31
NOTUM Q6P988 1/20 0.31
NR3C1 P04150 1/20 0.30
IDH2 P48735 1/20 0.30

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
SCHEMBL1111196 0.76 HTR2A (0.47) ADRB1P2RX7MBOAT4HTR2CHTR2B
SCHEMBL18158007 0.75 CPB2 (0.38)
Hydrochloric Acid SCHEMBL1111187 0.75 HTR2A (0.46) ADRB1P2RX7MBOAT4HTR2CHTR2B
SCHEMBL18157975 0.74
SCHEMBL18157978 0.74 SMN1; SMN2 (0.37) P2RX7MBOAT4MAOBADORA2ASLC6A4
SCHEMBL20402885 0.73 ADRB1 (0.49) ADRB1P2RX7IDH1NOTUMIDH2
SCHEMBL8186745 0.73 IDH1 (0.43) ADRB1P2RX7MBOAT4IDH1IDH2
SCHEMBL18157921 0.71 NCF1 (0.30)
SCHEMBL24508311 0.71 ADRB1 (0.54) ADRB1P2RX7IDH1ADORA2ANOTUM
SCHEMBL27186121 0.71 ADRB1 (0.50) ADRB1P2RX7IDH1IDH2

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 ADRB1 4227/4885P2RX7 964/4885MBOAT4 3292/4885

“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.