SCHEMBL21628644

SCHEMBL21628644

CNC(=O)c1ccc(Oc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MMP13 P45452 3/20 0.55
PLK1 P53350 3/20 0.47
HRH3 Q9Y5N1 1/20 0.43
EPHX2 P34913 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CNR2 P34972 1/20 0.41
MMP2 P08253 1/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
BRAF P15056 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 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
SCHEMBL21628646 1.00 HPGD (0.61) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21628671 0.87 HDAC6 (0.45) HPGDTSHRHTTSMN1; SMN2CNR2
SCHEMBL21628510 0.85 OPRM1 (0.49) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21628508 0.85 OPRM1 (0.49) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL23210634 0.84 CA1 (0.47) HPGDTSHRSMN1; SMN2EPHX2
SCHEMBL21656813 0.84 CA1 (0.47) HPGDTSHRSMN1; SMN2EPHX2
SCHEMBL21656931 0.84 HPGD (0.43) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL23210656 0.82 PARP10 (0.49) HPGDEPHX2
SCHEMBL23210653 0.82 PARP10 (0.49) HPGDEPHX2
SCHEMBL21628522 0.81 PARP10 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (6 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HPGD 2313/4885TSHR 3622/4885HTT 304/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR HPGD 3694/4885TSHR 719/4885HTT 703/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885

“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.