SCHEMBL7035568

SCHEMBL7035568

[CH2]CCc1cccc(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
MBOAT4 Q96T53 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
IDH1 O75874 9/20 0.37
IDH2 P48735 2/20 0.37
NR3C1 P04150 1/20 0.37
NOTUM Q6P988 1/20 0.37
ADRB1 P08588 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL129240 0.84 P2RX7 (0.43) P2RX7MBOAT4HTR2CSLC6A4HTR2B
SCHEMBL25402832 0.81 P2RX7 (0.45) P2RX7MBOAT4HTR2CSLC6A4HTR2B
SCHEMBL8190474 0.81 KCNH2 (0.46) P2RX7MBOAT4IDH1IDH2NOTUM
SCHEMBL23343864 0.81 P2RX7 (0.45) P2RX7MBOAT4IDH1IDH2NOTUM
SCHEMBL27983844 0.81 P2RX7 (0.41) P2RX7MBOAT4HTR2CSLC6A4HTR2B
SCHEMBL1111276 0.81 P2RX7 (0.41) P2RX7MBOAT4HTR2CSLC6A4HTR2B
SCHEMBL7037038 0.78 KCNH2 (0.43) P2RX7MBOAT4IDH2NOTUMADRB1
SCHEMBL28914699 0.78 KCNH2 (0.66) P2RX7MBOAT4NR3C1NOTUMKCNH2
SCHEMBL14834464 0.78 P2RX7 (0.39) P2RX7MBOAT4HTR2CSLC6A4HTR2B
SCHEMBL18494297 0.78 KCNH2 (0.56) P2RX7MBOAT4IDH1IDH2ADRB1

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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 P2RX7 1011/4885MBOAT4 4364/4885HTR2C 252/4885

“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.