SCHEMBL21628717

SCHEMBL21628717

CCC(C)(C)c1ccc(Oc2ccc(C(=O)N(C)C)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LIPE Q05469 6/20 0.42
▸ GRN P28799 1/20 0.42
▸ SORT1 Q99523 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ HTT P42858 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
SCHEMBL19362859 0.86 RAB9A (0.57) LMNAALDH1A1RAB9ANPC1POLB
SCHEMBL21628591 0.85 OPRM1 (0.55) LMNARAB9ANPC1POLBCYP2C9
SCHEMBL21628629 0.84 SMN1; SMN2 (0.67) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL21656684 0.84 LMNA (0.64) LMNAALDH1A1RAB9ANPC1POLB
SCHEMBL21628386 0.84 LMNA (0.63) LMNAALDH1A1HPGDSMN1; SMN2LIPE
SCHEMBL21657013 0.83 LMNA (0.42) LMNAALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL19363006 0.83 PDE4B (0.53) LMNAALDH1A1RAB9ANPC1POLB
SCHEMBL21628821 0.83 LMNA (0.50) LMNAALDH1A1RAB9ANPC1POLB
SCHEMBL21628553 0.83 OPRM1 (0.54) LMNAHPGDSMN1; SMN2LIPEGRN
SCHEMBL21628611 0.82 ALDH1A1 (0.51) LMNAALDH1A1HPGDSMN1; SMN2MAPT

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 LMNA 3327/4885ALDH1A1 717/4885HPGD 2579/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885ALDH1A1 717/4885HPGD 2579/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK LMNA 3083/4885ALDH1A1 900/4885HPGD 2313/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885ALDH1A1 717/4885HPGD 2579/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR LMNA 832/4885ALDH1A1 929/4885HPGD 3694/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885ALDH1A1 717/4885HPGD 2579/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885ALDH1A1 717/4885HPGD 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.

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