SCHEMBL20112465

SCHEMBL20112465

COCCOc1ncc(C(C)C)n1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MPO P05164 1/20 0.34
KDM5B Q9UGL1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE5A O76074 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL20112463 0.80 SMN1; SMN2 (0.35) LMNAALDH1A1SMN1; SMN2
SCHEMBL20112460 0.72 CNR1 (0.33) LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL25026161 0.69 ALDH1A1 (0.41) LMNATSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL10172918 0.65 SMN1; SMN2 (0.59) LMNAALDH1A1SMN1; SMN2
SCHEMBL22670053 0.64 MEN1 (0.39) LMNAALDH1A1TDP1
SCHEMBL10080929 0.64 KDM5B (0.43) KDM5B
SCHEMBL12374075 0.64 LNPEP (0.32) LMNAALDH1A1TDP1
SCHEMBL24377276 0.63 CYP1A2 (0.47) LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL22427786 0.63 LMNA (0.41) LMNAALDH1A1SMN1; SMN2
SCHEMBL24730800 0.63 LMNA (0.37) LMNASMN1; 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-20210094968-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2021-04-01 US disclosed
US-20180118756-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-03 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-20210094968-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS LMNA 1481/4885TSHR 4191/4885ALDH1A1 126/4885
US-20180118756-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS LMNA 1481/4885TSHR 4191/4885ALDH1A1 126/4885

“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.