SCHEMBL18313620

SCHEMBL18313620

Fc1ccc(COc2ccc(CNCC3CCCCC3)cc2OCc2ccc(F)cc2F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.46
▸ HTR2A P28223 5/20 0.46
▸ SLC6A4 P31645 5/20 0.46
▸ PPARA Q07869 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ PREP P48147 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PTGER1 P34995 1/20 0.38

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 0.87 KMT2A (0.47) HTR2CHTR2ASLC6A4PPARAKMT2A
Hydrochloric Acid SCHEMBL18306078 0.86 KMT2A (0.49) HTR2CHTR2ASLC6A4PPARAKMT2A
SCHEMBL18313742 0.84 HTR2C (0.47) HTR2CHTR2ASLC6A4PPARAKMT2A
SCHEMBL18313621 0.84 KMT2A (0.55) HTR2CHTR2ASLC6A4KMT2AHTT
SCHEMBL14078226 0.81 HTR2C (0.53) HTR2CKMT2ARAB9AHTTMEN1
SCHEMBL17481532 0.80 KMT2A (0.55) PPARAKMT2ARAB9AHTTMEN1
SCHEMBL3956974 0.79 HDAC6 (0.58) HTR2CHTR2ASLC6A4KMT2ARAB9A
SCHEMBL18313460 0.78 NPC1 (0.46) KMT2ARAB9AHDAC6MEN1PKM
SCHEMBL14078225 0.74 RAB9A (0.53) HTR2AKMT2ARAB9AHTTMEN1
SCHEMBL8041968 0.73 SMN1; SMN2 (0.65) RAB9AHDAC6HDAC3HDAC1HDAC8

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 4 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
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 (3 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 HTR2C 1076/4885HTR2A 894/4885SLC6A4 1327/4885
US-10759739-B2 P62-ZZ small molecule modulators ADRM1, SQSTM1, NCOR1 HTR2C 1074/4885HTR2A 886/4885SLC6A4 1304/4885
US-11560352-B2 P62-ZZ small molecule modulators ADRM1, SQSTM1, NCOR1 HTR2C 1076/4885HTR2A 894/4885SLC6A4 1327/4885

“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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