SCHEMBL18312349

SCHEMBL18312349

Clc1ccc([C@@H]2C=CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.40
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MDM2 Q00987 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SLC6A4 P31645 1/20 0.33
LIG1 P18858 1/20 0.33
DRD2 P14416 1/20 0.33
LMNA P02545 1/20 0.32
CYP2A6 P11509 1/20 0.32
LSS P48449 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL11881101 1.00 HTR3A (0.40) HTR3APOLBALOX15RECQLESR2
SCHEMBL16398622 0.88 ALOX15 (0.38) HTR3APOLBALOX15RECQLESR2
SCHEMBL16398624 0.88 ALOX15 (0.38) HTR3APOLBALOX15RECQLESR2
SCHEMBL11333383 0.82 SLC6A3 (0.36) SLC6A3MDM2
SCHEMBL18312895 0.80 ATM (0.42) ALOX15RECQLESR2SLC6A2SLC6A3
SCHEMBL20561359 0.80 SMN1; SMN2 (0.37) ALOX15RECQLESR2SLC6A2SLC6A3
SCHEMBL20561325 0.80 ATM (0.42) ALOX15RECQLESR2SLC6A2SLC6A3
SCHEMBL20561358 0.80 SMN1; SMN2 (0.37) ALOX15RECQLESR2SLC6A2SLC6A3
SCHEMBL10582695 0.80 ESR2 (0.39) ALOX15RECQLESR2
SCHEMBL21531502 0.79 CYP2C19 (0.39) ALOX15RECQLESR2SLC18A3GAA

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
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
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 HTR3A 2101/4885POLB 2037/4885ALOX15 3368/4885
US-20180334414-A1 ASYMMETRIC ADDITION REACTIONS CSPP1, CCRL2, CBR3 HTR3A 2101/4885POLB 2037/4885ALOX15 3368/4885

“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.