SCHEMBL20004455

SCHEMBL20004455

CC(C)c1ccc(N2CCCC2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MGLL Q99685 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL24721747 0.89 L3MBTL1 (0.41) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL21163358 0.80 FFAR1 (0.48) ALDH1A1LMNASMN1; SMN2KMT2AL3MBTL1
Methane SCHEMBL8434666 0.79 MAPT (0.41) ALDH1A1LMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL38658205 0.76 SYK (0.43) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8502504 0.76 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL21262607 0.75 FFAR1 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AL3MBTL1
Methane SCHEMBL27690559 0.74 SLC18A3 (0.43) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL20841082 0.73 RORC (0.46) HPGDALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL17660607 0.73 RORC (0.46) HPGDALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL27812326 0.73 L3MBTL3 (0.33) L3MBTL1

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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO 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 (1 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK HPGD 1831/4885ALDH1A1 4095/4885LMNA 4186/4885

“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.