SCHEMBL21510644

SCHEMBL21510644

CC1(C)C=Cc2oc3ccc4ccccc4c3c2C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ ABCG2 Q9UNQ0 5/20 0.36
▸ AHR P35869 4/20 0.36
▸ PAX8 Q06710 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAPK3 P27361 1/20 0.36

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
SCHEMBL18698083 0.80 KDM4E (0.36) RAB9ACYP3A4HPGDNPC1KDM4E
SCHEMBL10287562 0.74 MAOA (0.47) RAB9ACYP3A4HPGDNPC1KDM4E
SCHEMBL24363320 0.72 TTR (0.31) —
SCHEMBL24361583 0.71 MAOA (0.35) L3MBTL1RAB9ACYP3A4HPGDNPC1
SCHEMBL20842852 0.71 MAOA (0.33) RAB9ACYP3A4HPGDNPC1KDM4E
SCHEMBL30091394 0.68 TDP1 (0.55) HNF4AL3MBTL1RAB9ACYP1A2CYP3A4
SCHEMBL23652402 0.68 — —
SCHEMBL415466 0.68 TDP1 (0.55) HNF4AL3MBTL1RAB9ACYP1A2CYP3A4
SCHEMBL22537996 0.68 KDM4E (0.34) RAB9ACYP3A4HPGDNPC1KDM4E
SCHEMBL21253832 0.67 ALDH1A1 (0.41) RAB9AHPGDNPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-10-24 — — 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 (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-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CRY1, CYP1B1 HNF4A 1383/4885L3MBTL1 1706/4885RAB9A 2384/4885

“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.

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