SCHEMBL21138600

SCHEMBL21138600

CCCCC(C)(CC)C(=O)OCCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.35
ESR1 P03372 2/20 0.35
HTR2C P28335 1/20 0.35
CYP1A2 P05177 2/20 0.34
NAAA Q02083 1/20 0.34
FDPS P14324 1/20 0.34
TSHR P16473 3/20 0.33
HPGD P15428 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
LMNA P02545 2/20 0.33
EPHX1 P07099 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4D Q08499 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
SCHEMBL20224650 0.94 HTR2C (0.40) ALDH1A1ATMESR1HTR2CNAAA
SCHEMBL17617112 0.90 ALDH1A1 (0.47) ALDH1A1ATMESR1CYP1A2NAAA
SCHEMBL20853869 0.88 NAAA (0.46) ALDH1A1ATMESR1NAAATSHR
SCHEMBL20853964 0.86 NAAA (0.48) ALDH1A1ESR1NAAATSHRAKR1C4
SCHEMBL20853939 0.86 NAAA (0.48) ALDH1A1ESR1NAAATSHRAKR1C4
SCHEMBL20853847 0.86 NAAA (0.48) ALDH1A1ESR1NAAATSHRAKR1C4
SCHEMBL20853967 0.86 NAAA (0.48) ALDH1A1ESR1NAAATSHRAKR1C4
SCHEMBL20853904 0.86 NAAA (0.48) ALDH1A1ESR1NAAATSHRAKR1C4
SCHEMBL20853934 0.86 NAAA (0.48) ALDH1A1ESR1NAAATSHRAKR1C4
SCHEMBL19387397 0.83 CYP4F2 (0.46) ALDH1A1ATMESR1HTR2CCYP1A2

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-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2019-06-20 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 (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-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 ALDH1A1 2810/4885ATM 1719/4885ESR1 3130/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 ALDH1A1 2734/4885ATM 1656/4885ESR1 2838/4885

“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.