SCHEMBL25936797

SCHEMBL25936797

CCc1ccccc1C(=O)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
SLC6A1 P30531 4/20 0.43
KDM2B Q8NHM5 2/20 0.43
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3681679 0.93 NPSR1 (0.41) KMT2ASLC6A1KDM2BTSHRSLC6A2
SCHEMBL10367522 0.82 ALDH1A1 (0.47) KMT2AKDM2BHSD17B10ALDH1A1KDM4E
SCHEMBL2996246 0.80 AKR1C3 (0.46) KMT2ASLC6A1KDM2BSLC6A2SLC6A4
SCHEMBL2996249 0.80 AKR1C3 (0.46) KMT2ASLC6A1KDM2BSLC6A2SLC6A4
SCHEMBL2996251 0.80 AKR1C3 (0.46) KMT2ASLC6A1KDM2BSLC6A2SLC6A4
SCHEMBL23579159 0.78 NPC1 (0.56) KMT2AHSD17B10TSHRALDH1A1KDM4E
SCHEMBL5729067 0.76 NPC1 (0.58) KMT2ATSHRALDH1A1CYP2C19
SCHEMBL1363420 0.76 TSHR (0.64) KMT2AHSD17B10TSHRALDH1A1KDM4E
SCHEMBL3389632 0.76 KDM2B (0.57) KDM2BTSHRALDH1A1HPGD
SCHEMBL5451947 0.76 ALDH1A1 (0.56) KMT2AALDH1A1KDM4EHPGDNPSR1

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-11718578-B2 Ketamine flow synthesis Université de Liège (BE) 2023-08-08 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-11718578-B2 Ketamine flow synthesis OPRL1, HTR4, KCNQ4 KMT2A 1211/4885SLC6A1 405/4885KDM2B 918/4885

“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.