SCHEMBL21656579

SCHEMBL21656579

C=CCC(CC)(CC)c1ccc(Oc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ HDAC1 Q13547 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ MMP1 P03956 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ MMP9 P14780 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
SCHEMBL21656587 0.90 HPGD (0.58) SMN1; SMN2HPGDTSHRHTTPKM
SCHEMBL21656866 0.88 LMNA (0.45) HDAC1POLBHDAC6HDAC8HDAC2
SCHEMBL21656483 0.87 MAPT (0.44) CA1CA2SMN1; SMN2HPGDTSHR
SCHEMBL21656973 0.87 HDAC1 (0.42) CA1CA2HDAC1MAPTHDAC6
SCHEMBL23228769 0.85 PARP10 (0.51) CA1CA2SMN1; SMN2HPGDTSHR
SCHEMBL23228794 0.83 HPGD (0.56) SMN1; SMN2HPGDTSHRHTTPKM
SCHEMBL23228815 0.82 HDAC6 (0.40) HDAC1HDAC6HDAC8HDAC2
SCHEMBL21656893 0.78 OPRM1 (0.49) SMN1; SMN2HPGDTSHRHTTMMP13
SCHEMBL21166650 0.77 MAPT (0.57) SMN1; SMN2HPGDTSHRPKMNPC1
SCHEMBL21628465 0.77 NPC1 (0.58) CA1CA2HDAC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 — — US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 — — 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 (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-11591289-B2 Aromatic compounds AHR, TYR, MUSK CA1 4882/4885CA2 4221/4885HDAC1 2387/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK CA1 4881/4885CA2 4416/4885HDAC1 1840/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK CA1 4881/4885CA2 4416/4885HDAC1 1840/4885

“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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