SCHEMBL21628487

SCHEMBL21628487

CCC(C)(C)c1ccc(Oc2ccc(C(=O)NC)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
PLK1 P53350 3/20 0.45
MMP13 P45452 1/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MET P08581 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
KCNQ3 O43525 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
SCHEMBL21628693 0.91 NPC1 (0.47) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21657035 0.88 HPGD (0.54) SLC6A2SLC6A4HPGDTSHRHTT
SCHEMBL29920883 0.88 HPGD (0.54) SLC6A2SLC6A4HPGDTSHRHTT
SCHEMBL21628854 0.87 ALDH1A1 (0.52) HPGDNPC1RAB9APOLBCYP2C9
SCHEMBL21628475 0.86 RAB9A (0.63) HTTNPC1RAB9APOLBCYP2C9
SCHEMBL21628416 0.85 PARP10 (0.50) SLC6A2SLC6A4NPC1RAB9APOLB
SCHEMBL21628694 0.85 MAPT (0.54) SLC6A2SLC6A4HPGDTSHRHTT
SCHEMBL21628640 0.85 HPGD (0.69) HPGDTSHRHTTSMN1; SMN2NPC1
SCHEMBL21628755 0.83 SLC6A2 (0.51) SLC6A2SLC6A4HPGDSMN1; SMN2NPC1
SCHEMBL21628492 0.83 HPGD (0.51) SLC6A2SLC6A4HPGDTSHRHTT

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 9 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-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 (7 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 SLC6A2 2765/4885SLC6A4 3395/4885HPGD 2579/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A2 2765/4885SLC6A4 3395/4885HPGD 2579/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK SLC6A2 3104/4885SLC6A4 3517/4885HPGD 2313/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A2 2765/4885SLC6A4 3395/4885HPGD 2579/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR SLC6A2 4255/4885SLC6A4 4528/4885HPGD 3694/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A2 2765/4885SLC6A4 3395/4885HPGD 2579/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A2 2765/4885SLC6A4 3395/4885HPGD 2579/4885

“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.