SCHEMBL21628759

SCHEMBL21628759

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPT P10636 4/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HSD17B2 P37059 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 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
SCHEMBL19357358 0.90 ALDH1A1 (0.50) MAPTCA12CA1CA2CA7
SCHEMBL21628854 0.89 ALDH1A1 (0.52) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21656741 0.88 MAPT (0.49) RAB9AMAPTCA12CA1CA2
SCHEMBL21628475 0.86 RAB9A (0.63) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21628422 0.86 IGFBP3 (0.42) POLBMAPTCA12CA1CA2
SCHEMBL21628636 0.86 MAPT (0.42) POLBMAPTCA12CA1CA2
SCHEMBL21628416 0.85 PARP10 (0.50) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21628569 0.85 IGFBP3 (0.48) MAPTCA12CA1CA2CA7
SCHEMBL21628863 0.84 MAPT (0.41) POLBMAPTCA12CA1CA2
SCHEMBL21628653 0.84 CA12 (0.47) MAPTCA12CA1CA2CA7

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 NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK NPC1 4499/4885RAB9A 3345/4885POLB 2979/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR NPC1 565/4885RAB9A 3981/4885POLB 814/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885

“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.