SCHEMBL18924722

SCHEMBL18924722

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 3/20 0.37
POLB P06746 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 1/20 0.33
METAP1 P53582 1/20 0.32
GALR3 O60755 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL19359821 0.85 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL18388354 0.82 ALDH1A1 (0.38) ALDH1A1LMNAPOLBMAPTALOX15
SCHEMBL10011840 0.82 ALDH1A1 (0.55) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL6895190 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL22844448 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRPOLB
SCHEMBL18856319 0.78 MMP8 (0.33) POLB
SCHEMBL4908443 0.75 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL31651626 0.75 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL7591223 0.74 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL4416129 0.74 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-03 US disclosed
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-12 US disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 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 (3 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-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885HSD17B10 615/4885
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885HSD17B10 615/4885
US-10822306-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.