SCHEMBL21164697

SCHEMBL21164697

C=CCNCC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.48
EPHX1 P07099 3/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
EPHX2 P34913 2/20 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
SCHEMBL1677807 0.75 ATM (0.70) ATMALDH1A1SMN1; SMN2KDM4EEPHX1
SCHEMBL4229110 0.75 ATM (0.65) ATMALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL24209092 0.74 ATM (0.55) ATMALDH1A1LMNATHRBHTT
SCHEMBL23884204 0.71 EPHX2 (0.61) ALDH1A1LMNATHRBHTTSMN1; SMN2
SCHEMBL18884208 0.70 EPHX2 (0.73) ALDH1A1LMNASMN1; SMN2EPHX1HDAC3
SCHEMBL15466843 0.70 ALDH1A1 (0.51) ATMALDH1A1LMNATHRBHTT
SCHEMBL21164489 0.70 ATM (0.55) ATMALDH1A1LMNATHRBHTT
SCHEMBL3454586 0.70 EPHX2 (0.68) ALDH1A1SMN1; SMN2KDM4EEPHX1EPHX2
SCHEMBL5807144 0.70 EPHX2 (0.59) ALDH1A1LMNATHRBHTTSMN1; SMN2
SCHEMBL13320024 0.70 EPHX2 (0.59) ALDH1A1LMNATHRBHTTSMN1; SMN2

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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ATM 3321/4885ALDH1A1 1121/4885LMNA 966/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 ATM 3321/4885ALDH1A1 1121/4885LMNA 966/4885

“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.