SCHEMBL21628441

SCHEMBL21628441

Cc1cc(C2(C(F)(F)F)CC2)ccc1Oc1ccc(C(=O)NO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.40
HDAC1 Q13547 9/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
EZH2 Q15910 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
SCHEMBL21628431 0.91 RXRA (0.40) RXRAMAPTKDM4EMAPK1HDAC1
SCHEMBL21628581 0.91 SLC6A2 (0.47) RXRAMAPTKDM4EMAPK1SLC6A2
SCHEMBL21656930 0.87 HDAC1 (0.43) MAPTKDM4EMAPK1HDAC1HDAC6
SCHEMBL21656955 0.87 RXRA (0.42) RXRAMAPTKDM4EMAPK1CA1
SCHEMBL21628823 0.87 RXRA (0.55) RXRAFFAR1
SCHEMBL21657061 0.86 FFAR1 (0.42) MAPTKDM4EHDAC1HDAC6HDAC3
SCHEMBL21628548 0.86 SLC6A4 (0.46) RXRAMAPTKDM4ECA1CA2
SCHEMBL21628875 0.84 ALOX15 (0.45) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21628880 0.84 SLC6A2 (0.49) RXRASLC6A2SLC6A4
SCHEMBL21656801 0.84 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8

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 RXRA 684/4885MAPT 2272/4885KDM4E 143/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK RXRA 709/4885MAPT 2195/4885KDM4E 152/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK RXRA 684/4885MAPT 2272/4885KDM4E 143/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK RXRA 684/4885MAPT 2272/4885KDM4E 143/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK RXRA 684/4885MAPT 2272/4885KDM4E 143/4885

“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.