SCHEMBL21654072

SCHEMBL21654072

CCCCCCCC(C)(CCCC)CC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
POLA1 P09884 1/20 0.42
EPHX1 P07099 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CES2 O00748 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL19176823 1.00 MEN1 (0.49) MEN1KMT2AHPGDRECQLHSD17B10
SCHEMBL20711057 0.98 MEN1 (0.50) MEN1KMT2AHPGDRECQLHSD17B10
SCHEMBL14627982 0.98 MEN1 (0.50) MEN1KMT2AHPGDRECQLHSD17B10
SCHEMBL20457437 0.98 MEN1 (0.50) MEN1KMT2AHPGDRECQLHSD17B10
Ammonia Solution, Strong SCHEMBL28660802 0.96 MEN1 (0.49) MEN1KMT2AHPGDRECQLHSD17B10
Ammonia Solution, Strong SCHEMBL997336 0.96 MEN1 (0.49) MEN1KMT2AHPGDRECQLHSD17B10
SCHEMBL23542143 0.91 MEN1 (0.48) MEN1KMT2AHPGDRECQLHSD17B10
SCHEMBL21654316 0.84 PAM (0.49) LMNAMAPTPOLBPOLA1CA12
SCHEMBL19861159 0.84 MEN1 (0.49) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL23502561 0.84 CA12 (0.46) MEN1KMT2AHPGDRECQLHSD17B10

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-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 MEN1 1111/4885KMT2A 3643/4885HPGD 2443/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 MEN1 1111/4885KMT2A 3643/4885HPGD 2443/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 MEN1 1591/4885KMT2A 3442/4885HPGD 1091/4885
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 MEN1 1779/4885KMT2A 2717/4885HPGD 1215/4885

“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.