SCHEMBL21628626

SCHEMBL21628626

O=C(O)c1ccc(Oc2ccc(C(C(F)(F)F)C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
TTR P02766 2/20 0.44
IGFBP3 P17936 4/20 0.43
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
LPAR1 Q92633 5/20 0.41
LPAR5 Q9H1C0 5/20 0.41
SRD5A2 P31213 1/20 0.41
S1PR2 O95136 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP10 Q53GL7 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39

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
SCHEMBL21628675 0.88 PARP10 (0.52) ALDH1A1PARP10
SCHEMBL21657019 0.86 ALDH1A1 (0.45) LMNAMAPK1HTTRAB9AALDH1A1
SCHEMBL21656891 0.86 OPRM1 (0.44) PTGER4PTGER2PARP10KCNQ3KCNQ2
SCHEMBL21656909 0.85 SLC6A2 (0.52) LMNAMAPK1HTTRAB9AIGFBP3
SCHEMBL21656899 0.85 SLC6A2 (0.50) MAPK1HTTPTGER4PTGER2S1PR2
SCHEMBL21628711 0.83 LMNA (0.56) LMNAMAPK1HTTRAB9ATTR
SCHEMBL21656648 0.83 CA12 (0.41) LMNATSHR
SCHEMBL21656675 0.82 SRD5A2 (0.58) RAB9ASRD5A2ALDH1A1TSHRHSD17B10
SCHEMBL21656739 0.82 IGFBP3 (0.59) LMNAMAPK1HTTRAB9ATTR
SCHEMBL21274603 0.81 LMNA (0.60) LMNAMAPK1HTTRAB9ATTR

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 LMNA 3327/4885MAPK1 3508/4885HTT 550/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK LMNA 3083/4885MAPK1 3401/4885HTT 304/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885MAPK1 3508/4885HTT 550/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885MAPK1 3508/4885HTT 550/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885MAPK1 3508/4885HTT 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.