SCHEMBL10196348

SCHEMBL10196348

COc1cc(C)ccc1O[C@H]1CC[C@H](C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
SYK P43405 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4A P27815 2/20 0.40

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
SCHEMBL15280209 0.93 ACHE (0.63) ACHEMAPK1TSHRSYKALDH1A1
SCHEMBL16440160 0.86 ACHE (0.59) ACHESYKALDH1A1CYP3A4NPC1
SCHEMBL2907378 0.86 ACHE (0.59) ACHESYKNPC1RAB9APOLB
SCHEMBL10196687 0.85 ACHE (0.57) ACHESYKNPC1RAB9AMEN1
SCHEMBL23410206 0.82 ACHE (0.53) ACHESYKPDE4B
SCHEMBL10196382 0.82 SYK (0.67) ACHESYKPDE4APDE4BPDE4C
SCHEMBL12180743 0.81 ACHE (0.52) ACHEMAPK1SYKALDH1A1CYP3A4
SCHEMBL10196595 0.81 ACHE (0.52) ACHESYKPOLBMCHR1
SCHEMBL10196086 0.80 ACHE (0.50) ACHEMAPK1TSHRSYKALDH1A1
SCHEMBL6873641 0.79 PDE4A (0.60) ACHEMAPK1ALDH1A1CYP3A4POLB

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-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 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 (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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 ACHE 1308/4885MAPK1 3154/4885TSHR 692/4885

“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.