SCHEMBL21628708

SCHEMBL21628708

CNC(=O)c1ccc(Oc2ccc(C3(C(F)(F)F)CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

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
S1PR2 O95136 6/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
MMP2 P08253 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MAPK14 Q16539 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MMP3 P08254 1/20 0.40
MMP10 P09238 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
SCHEMBL21628505 0.89 HPGD (0.58) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21628875 0.87 ALOX15 (0.45) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21628581 0.85 SLC6A2 (0.47) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21656672 0.85 SLC6A2 (0.47) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21628674 0.85 SLC6A2 (0.50) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21656808 0.85 OPRM1 (0.49) HPGDTSHRHTTSMN1; SMN2HRH3
SCHEMBL20482655 0.84 CA1 (0.47) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21656966 0.84 SLC6A2 (0.47) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL20482167 0.82 RXRA (0.49) TSHRMMP13S1PR2MMP2EPHX2
SCHEMBL21628479 0.81 PARP10 (0.58) MMP13S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (5 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK HPGD 2313/4885TSHR 3622/4885HTT 304/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
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.