SCHEMBL21536088

SCHEMBL21536088

CC(C)c1cccc2cn(C3COC3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
ALDH1A2 O94788 3/20 0.36
ALDH1A3 P47895 3/20 0.36
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 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
SCHEMBL21536162 0.81 KDM4E (0.39) ALDH1A1ALDH1A2ALDH1A3TSHRKDM4E
SCHEMBL21536089 0.77 ALDH1A2 (0.39) ALDH1A1ALDH1A2ALDH1A3USP1WDR48
SCHEMBL24837078 0.72 ALDH1A2 (0.33) ALDH1A1ALDH1A2ALDH1A3USP1WDR48
SCHEMBL18368379 0.72 LMNA (0.39) ALDH1A1CYP1A2CYP3A4HPGDTSHR
SCHEMBL27107103 0.70 USP1 (0.33) ALDH1A1ALDH1A2ALDH1A3USP1WDR48
SCHEMBL29303756 0.70 KDM5A (0.38) ALDH1A1ALDH1A2ALDH1A3HPGDKDM4E
SCHEMBL24370960 0.70 LMNA (0.38) ALDH1A1CYP1A2CYP3A4HPGDTSHR
SCHEMBL26142046 0.69 MTOR (0.34) ALDH1A1ALDH1A2ALDH1A3USP1WDR48
SCHEMBL22358041 0.69 ALDH1A1 (0.36) ALDH1A1ALDH1A2ALDH1A3HPGDKDM4E
SCHEMBL21536093 0.69 USP1 (0.37) CYP1A2USP1WDR48MAPK1CCNT1

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-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885ALDH1A2 138/4885ALDH1A3 379/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885ALDH1A2 138/4885ALDH1A3 379/4885

“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.