SCHEMBL22844448

SCHEMBL22844448

CCCC(CC)C(OC(C)=O)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKCA P17252 2/20 0.30
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL10011840 0.80 ALDH1A1 (0.55) ALDH1A1LMNAHSD17B10CYP2D6CYP2C9
SCHEMBL18924722 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10POLBCYP2D6
SCHEMBL19359821 0.76 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10CYP2D6CYP2C9
SCHEMBL27513818 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10POLBCYP2D6
SCHEMBL6895190 0.75 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRTDP1
SCHEMBL30049090 0.73 POLB (0.40) ALDH1A1LMNAHSD17B10POLBCYP2D6
SCHEMBL4908443 0.73 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRTDP1
SCHEMBL31651626 0.73 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRTDP1
SCHEMBL8035919 0.73 CA2 (0.39) ALDH1A1TSHRCA1CA2TDP1
Ethyl Acetate SCHEMBL3607362 0.72 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10POLBCYP2D6

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-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2022-12-06 US disclosed
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-12-31 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-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885HSD17B10 615/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885HSD17B10 615/4885

“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.