SCHEMBL21024037

SCHEMBL21024037

CC(=O)N1CCCc2cc(C(C)(C)C)ccc21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.63
TP53 P04637 2/20 0.55
TRIM24 O15164 1/20 0.52
ALDH1A1 P00352 5/20 0.51
LMNA P02545 5/20 0.51
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.48
CYP11B2 P19099 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL13911918 0.91 NOTUM (0.76) NOTUMTP53TRIM24ALDH1A1CYP3A4
SCHEMBL24011079 0.87 NOTUM (0.84) NOTUMTP53TRIM24ALDH1A1LMNA
SCHEMBL18216843 0.83 KDM4E (0.53) NOTUMTP53TRIM24ALDH1A1LMNA
SCHEMBL25690949 0.83 CYP3A4 (0.47) NOTUMTP53ALDH1A1LMNATSHR
SCHEMBL156256 0.80 NOTUM (0.82) NOTUMTP53ALDH1A1LMNATSHR
SCHEMBL6721657 0.80 NOTUM (0.64) NOTUMTP53ALDH1A1LMNATSHR
SCHEMBL11607914 0.80 NOTUM (0.64) NOTUMTP53ALDH1A1LMNATSHR
SCHEMBL4520413 0.79 NOTUM (0.62) NOTUMTP53ALDH1A1LMNATSHR
SCHEMBL20894496 0.79 NOTUM (0.62) NOTUMTP53ALDH1A1LMNATSHR
SCHEMBL3102790 0.79 NOTUM (0.62) NOTUMTP53ALDH1A1LMNATSHR

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-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 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 (4 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-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 NOTUM 3793/4885TP53 2338/4885TRIM24 2652/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 NOTUM 3820/4885TP53 2245/4885TRIM24 2581/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 NOTUM 3820/4885TP53 2245/4885TRIM24 2581/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 NOTUM 3820/4885TP53 2245/4885TRIM24 2581/4885

“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.