SCHEMBL18253201

SCHEMBL18253201

CC(C)c1ccc(C2COC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.36
TYR P14679 2/20 0.35
ADRB2 P07550 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33

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
SCHEMBL18702848 0.83 NOS3 (0.36) HPGDALDH1A1ADRB2HSD11B1
SCHEMBL29273461 0.79 HPGD (0.50) HPGDALDH1A1TYRADRB2L3MBTL1
SCHEMBL10169483 0.79 HPGD (0.43) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL10255199 0.77 TLR9 (0.47) HPGD
SCHEMBL1582778 0.76 TSHR (0.50) HPGDALDH1A1TYRL3MBTL1TNKS
SCHEMBL1582831 0.76 TSHR (0.50) HPGDALDH1A1TYRL3MBTL1TNKS
SCHEMBL10185052 0.75 MEN1 (0.40) ALDH1A1L3MBTL1NPC1RAB9ATDP1
SCHEMBL10185051 0.75 ALOX12 (0.42) ALDH1A1HTTRAB9ATDP1TP53
SCHEMBL30455997 0.75 HTR3A (0.47) HPGDALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL10685270 0.74 TSHR (0.48) HPGDALDH1A1TYRL3MBTL1CHRM2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283488-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2023-01-12 WO disclosed
US-10865213-B2 Max binders as MYC modulators and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-15 US disclosed
US-20190144466-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-05-16 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-20170233405-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-08-17 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 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-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN HPGD 2679/4885ALDH1A1 3342/4885TYR 48/4885
US-20170233405-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 HPGD 3340/4885ALDH1A1 3226/4885TYR 2674/4885
US-10865213-B2 Max binders as MYC modulators and uses thereof MYC, MYCBP, MYCBP2 HPGD 3340/4885ALDH1A1 3226/4885TYR 2674/4885
US-20190144466-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 HPGD 3340/4885ALDH1A1 3226/4885TYR 2674/4885

“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.