SCHEMBL21531691

SCHEMBL21531691

Clc1ccc(CC2C=CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 3/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
IDO1 P14902 1/20 0.33
TRPA1 O75762 1/20 0.33
LSS P48449 1/20 0.33

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
SCHEMBL5411582 0.81 POLB (0.41) POLB
SCHEMBL30345058 0.78 NCF1 (0.40) POLBALDH1A1CYP3A4ALOX12KDM4E
SCHEMBL31058495 0.78 HRH3 (0.39) IDO1
SCHEMBL12812247 0.78 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL30345155 0.76 CSNK2A1 (0.43)
SCHEMBL7535898 0.75 POLB (0.42) POLB
SCHEMBL7535902 0.75 POLB (0.42) POLB
SCHEMBL11881101 0.72 HTR3A (0.40) POLBSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL18312349 0.72 HTR3A (0.40) POLBSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL21602852 0.71 KMT2A (0.49) ALDH1A1KMT2AMEN1EPHX1

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 1 patent. 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

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-10464861-B2 Asymmetric addition reactions CSPP1, CCRL2, CBR3 POLB 2037/4885ALDH1A1 1009/4885CYP3A4 651/4885

“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.