SCHEMBL19807403

SCHEMBL19807403

COC(=O)C1=CC[C@H]2CCC1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
SLC6A3 Q01959 11/20 0.46
SLC6A4 P31645 3/20 0.43
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
GLA P06280 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PTPN1 P18031 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLR4 O00206 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
SCHEMBL19229905 0.82 GRM1 (0.39) SLC6A3KDM4EALDH1A1HPGDTSHR
SCHEMBL19807527 0.78 SLC6A3 (0.33) SLC6A3TSHRCHRNB2CHRNA4
SCHEMBL19807406 0.78 SLC6A3 (0.33) SLC6A3TSHRCHRNB2CHRNA4
SCHEMBL3926283 0.71 SLC6A3 (0.40) KCNH2SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL29723645 0.71 SLC6A3 (0.40) KCNH2SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL29723671 0.71 SLC6A3 (0.40) KCNH2SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL31064743 0.71 SLC6A3 (0.40) KCNH2SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL996860 0.71 SLC6A3 (0.40) KCNH2SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL6068737 0.70 CHRNB2 (0.43) SLC6A3SLC6A4KDM4EALDH1A1ATM
SCHEMBL11239464 0.69 SLC6A3 (0.53) SLC6A3SLC6A4ALDH1A1HPGDHSD17B10

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-10399994-B2 Compounds and methods for preventing or treating sensory hair cell death UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-20180022756-A1 COMPOUNDS AND METHODS FOR PREVENTING OR TREATING SENSORY HAIR CELL DEATH FRED HUTCHINSON CANCER CENTER 2018-01-25 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-10399994-B2 Compounds and methods for preventing or treating sensory hair cell death CASP3, AIFM1, ATP6V1B1 KCNH2 1453/4885SLC6A3 1936/4885SLC6A4 2507/4885
US-20180022756-A1 COMPOUNDS AND METHODS FOR PREVENTING OR TREATING SENSORY HAIR CELL DEATH CASP3, AIFM1, ATP6V1B1 KCNH2 1453/4885SLC6A3 1936/4885SLC6A4 2507/4885

“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.