SCHEMBL21628757

SCHEMBL21628757

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACACB O00763 8/20 0.42
HRH3 Q9Y5N1 4/20 0.42
ACACA Q13085 6/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL20482157 0.86 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2ACACBHRH3
SCHEMBL21656515 0.86 MAPT (0.56) ACACBHRH3ACACAHDAC8HDAC6
SCHEMBL21656612 0.85 OPRM1 (0.56) OPRM1OPRD1OPRK1
SCHEMBL21628814 0.84 HPGD (0.69) ALDH1A1HPGDSMN1; SMN2HDAC8HDAC6
SCHEMBL21656683 0.84 LMNA (0.55) ACACBACACAHDAC8HDAC6OPRM1
SCHEMBL21628611 0.83 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2HRH3OPRM1
SCHEMBL21657001 0.82 OPRM1 (0.55) HPGDSMN1; SMN2ACACBHRH3ACACA
SCHEMBL21656691 0.82 PDE4B (0.53) ALDH1A1ACACBACACAHDAC8HDAC6
SCHEMBL21628402 0.82 HDAC6 (0.61) ACACBACACAHDAC8HDAC6OPRM1
SCHEMBL21628603 0.81 SMN1; SMN2 (0.56) ALDH1A1HPGDSMN1; SMN2LMNA

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 ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK ALDH1A1 900/4885HPGD 2313/4885SMN1; SMN2 1107/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR ALDH1A1 929/4885HPGD 3694/4885SMN1; SMN2 919/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885

“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.