SCHEMBL18313460

SCHEMBL18313460

Cc1ccc(COc2ccc(CNCC3CCCCC3)cc2OCc2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SLC2A1 P11166 1/20 0.45
▸ GAA P10253 3/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ C5AR1 P21730 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ ATM Q13315 1/20 0.43
▸ BCHE P06276 2/20 0.42
▸ ESRRA P11474 1/20 0.41
▸ PLK1 P53350 1/20 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
SCHEMBL18306072 0.88 KMT2A (0.47) RAB9ASLC2A1KMT2APOLBHDAC6
Hydrochloric Acid SCHEMBL18306078 0.86 KMT2A (0.49) RAB9ASLC2A1KMT2APOLBHDAC6
SCHEMBL14078226 0.83 HTR2C (0.53) NPC1RAB9AGAAKMT2APOLB
SCHEMBL18313624 0.82 KMT2A (0.57) KMT2APOLBMEN1
SCHEMBL18088394 0.81 RAB9A (0.60) NPC1RAB9AKMT2APOLBHDAC6
SCHEMBL18313620 0.78 HTR2C (0.46) RAB9AKMT2APOLBHDAC6PKM
SCHEMBL20496687 0.78 SLC2A1 (0.56) SLC2A1GAAKMT2APOLBMEN1
SCHEMBL13792281 0.77 RAB9A (0.56) NPC1RAB9AKMT2APOLBHDAC6
SCHEMBL14078225 0.77 RAB9A (0.53) NPC1RAB9AGAAKMT2APOLB
SCHEMBL24211482 0.76 NPC1 (0.49) NPC1RAB9AHDAC6ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560352-B2 P62-ZZ small molecule modulators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-01-24 — — US disclosed
US-20210009506-A1 P62-ZZ SMALL MOLECULE MODULATORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-01-14 — — US disclosed
US-10759739-B2 P62-ZZ small molecule modulators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-09-01 — — US disclosed
US-10759739-B2 P62-ZZ small molecule modulators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-09-01 — — US disclosed
US-20180265452-A1 P62-ZZ CHEMICAL INHIBITOR UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-09-20 — — US disclosed
WO-2016200827-A1 P62-ZZ CHEMICAL INHIBITOR UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-12-15 — — 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 (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-20210009506-A1 P62-ZZ SMALL MOLECULE MODULATORS ADRM1, SQSTM1, NCOR1 NPC1 564/4885RAB9A 1676/4885SLC2A1 3177/4885
US-10759739-B2 P62-ZZ small molecule modulators ADRM1, SQSTM1, NCOR1 NPC1 562/4885RAB9A 1669/4885SLC2A1 3164/4885
US-11560352-B2 P62-ZZ small molecule modulators ADRM1, SQSTM1, NCOR1 NPC1 564/4885RAB9A 1676/4885SLC2A1 3177/4885
US-20180265452-A1 P62-ZZ CHEMICAL INHIBITOR SQSTM1, ADRM1, NCOR1 NPC1 516/4885RAB9A 2190/4885SLC2A1 3720/4885

“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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