SCHEMBL19798976

SCHEMBL19798976

CCCC1=C(C(=O)OCC)CN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
ESR2 Q92731 1/20 0.41
NR1H2 P55055 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL1934813 0.90 ADORA1 (0.57) ADORA1ESR2NR1H2MEN1KMT2A
SCHEMBL17919921 0.84 ADORA1 (0.49) ADORA1ESR2NR1H2MEN1KMT2A
SCHEMBL6868401 0.84 ADORA1 (0.56) ADORA1ESR2NR1H2MEN1KMT2A
SCHEMBL20998225 0.83 ADORA1 (0.55) ADORA1ESR2NR1H2MEN1KMT2A
SCHEMBL452692 0.82 ADORA1 (0.60) ADORA1ESR2NR1H2MEN1KMT2A
SCHEMBL16328025 0.82 ADORA1 (0.56) ADORA1ESR2NR1H2MEN1KMT2A
SCHEMBL21005765 0.82 ADORA1 (0.56) ADORA1ESR2NR1H2MEN1KMT2A
SCHEMBL3304724 0.80 ADORA1 (0.60) ADORA1ESR2NR1H2MEN1KMT2A
SCHEMBL25023507 0.79 ADORA1 (0.41) ADORA1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2248825 0.79 ADORA1 (0.56) ADORA1ESR2NR1H2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280149-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 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-10280149-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B ADORA1 3603/4885ESR2 308/4885NR1H2 233/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B ADORA1 3603/4885ESR2 308/4885NR1H2 233/4885

“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.