SCHEMBL18304579

SCHEMBL18304579

Clc1cccc(C2C=CCCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
IDH1 O75874 6/20 0.33
IDH2 P48735 4/20 0.32
CYP3A4 P08684 1/20 0.32
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20561582 1.00 MEN1 (0.34) MEN1CYP1A2KMT2ATSHRHTR3E
SCHEMBL18304578 1.00 MEN1 (0.34) MEN1CYP1A2KMT2ATSHRHTR3E
SCHEMBL30233615 0.80
SCHEMBL24575808 0.79 HTR1A (0.40)
SCHEMBL161142 0.72 ALDH1A1 (0.40) MEN1CYP1A2KMT2ANPSR1
SCHEMBL9302323 0.72 NPC1 (0.41) MEN1CYP1A2KMT2ACYP2D6ALOX15
SCHEMBL9711369 0.71 PPARA (0.31)
SCHEMBL17449293 0.71 IDH1 (0.41) MEN1CYP1A2KMT2ATSHRHTR3E
SCHEMBL17449295 0.70 MEN1 (0.42) MEN1CYP1A2KMT2ATSHRHTR3E
SCHEMBL31108761 0.70 MEN1 (0.42) MEN1CYP1A2KMT2ATSHRHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464861-B2 Asymmetric addition reactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-11-05 US disclosed
EP-3307698-B1 ASYMMETRIC ADDITION REACTIONS UNIV OXFORD INNOVATION LTD (GB) 2019-09-18 EP disclosed
EP-3307698-B1 ASYMMETRIC ADDITION REACTIONS UNIV OXFORD INNOVATION LTD (GB) 2019-09-18 EP disclosed
US-20180334414-A1 ASYMMETRIC ADDITION REACTIONS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-22 US disclosed
EP-3307698-A1 ASYMMETRIC ADDITION REACTIONS Oxford University Innovation Limited (GB) 2018-04-18 EP disclosed
WO-2016198836-A1 ASYMMETRIC ADDITION REACTIONS ISIS INNOVATION LIMITED (GB) 2016-12-15 WO 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-10464861-B2 Asymmetric addition reactions CSPP1, CCRL2, CBR3 MEN1 4406/4885CYP1A2 72/4885KMT2A 3951/4885
US-20180334414-A1 ASYMMETRIC ADDITION REACTIONS CSPP1, CCRL2, CBR3 MEN1 4406/4885CYP1A2 72/4885KMT2A 3951/4885

“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.