SCHEMBL21656877

SCHEMBL21656877

C=CCC(C)(CC)c1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ MMP14 P50281 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL21657013 0.87 LMNA (0.42) HPGDALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL23228794 0.86 HPGD (0.56) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21656937 0.86 SLC6A2 (0.45) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21656987 0.85 PARP10 (0.50) ALDH1A1KMT2AMMP14NPC1POLB
SCHEMBL23228713 0.84 LMNA (0.43) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21656657 0.81 PTGER4 (0.35) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21628629 0.80 SMN1; SMN2 (0.67) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20470668 0.77 MAPT (0.59) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20482414 0.76 HPGD (0.76) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21656871 0.75 RAB9A (0.44) EPHX2NR1H4NPC1POLBCYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 — — 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 (2 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK HPGD 2313/4885ALDH1A1 900/4885SMN1; SMN2 1107/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885ALDH1A1 717/4885SMN1; 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.

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