SCHEMBL21656587

SCHEMBL21656587

C=CCC(CC)(CC)c1ccc(Oc2ccc(C(=O)NC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ MMP13 P45452 3/20 0.52
▸ PLK1 P53350 6/20 0.49
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 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
SCHEMBL21656579 0.90 CA1 (0.45) HPGDSMN1; SMN2TSHRHTTMMP13
SCHEMBL21656893 0.88 OPRM1 (0.49) HPGDSMN1; SMN2TSHRHTTMMP13
SCHEMBL21656483 0.87 MAPT (0.44) HPGDSMN1; SMN2TSHRHTTPKM
SCHEMBL23228800 0.87 SLC6A2 (0.44) HPGDSMN1; SMN2TSHRHTTMMP13
SCHEMBL23228769 0.85 PARP10 (0.51) HPGDSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL23228794 0.83 HPGD (0.56) HPGDSMN1; SMN2TSHRHTTMMP13
SCHEMBL23228824 0.82 HPGD (0.38) HPGDSMN1; SMN2TSHRHTTMMP13
SCHEMBL21656866 0.78 LMNA (0.45) POLBLMNAHDAC2HDAC8HDAC6
SCHEMBL21628640 0.77 HPGD (0.69) HPGDSMN1; SMN2TSHRHTTMMP13
SCHEMBL21166650 0.77 MAPT (0.57) HPGDSMN1; SMN2TSHRPKMALDH1A1

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 HPGD 2313/4885SMN1; SMN2 1107/4885TSHR 3622/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885SMN1; SMN2 796/4885TSHR 3747/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885SMN1; SMN2 796/4885TSHR 3747/4885

“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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