SCHEMBL21980359

SCHEMBL21980359

O=C(CC(=O)c1ccc2c(c1)OCCO2)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
MAOB P27338 2/20 0.64
CTNNB1 P35222 8/20 0.61
WNT3A P56704 4/20 0.59
ATM Q13315 1/20 0.57
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54

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
SCHEMBL30387529 0.87 MAOB (0.65) RAB9ANPC1MAOBCTNNB1WNT3A
SCHEMBL26095520 0.87 MAOB (0.65) RAB9ANPC1MAOBCTNNB1WNT3A
SCHEMBL10027735 0.85 CTNNB1 (0.82) RAB9ANPC1MAOBCTNNB1WNT3A
SCHEMBL29962144 0.81 ERCC5 (0.76) RAB9ANPC1KDM4ESMN1; SMN2HPGD
SCHEMBL11791699 0.81 ERCC5 (0.76) RAB9ANPC1KDM4ESMN1; SMN2HPGD
SCHEMBL1535157 0.78 ATM (0.72) RAB9ANPC1CTNNB1WNT3AATM
SCHEMBL21980363 0.78 NPC1 (0.57) RAB9ANPC1MAOBCTNNB1WNT3A
SCHEMBL26728280 0.77 ATM (0.71) RAB9ANPC1CTNNB1WNT3AATM
SCHEMBL10726266 0.76 ALDH1A1 (0.69) RAB9ANPC1MAOBKDM4ESMN1; SMN2
SCHEMBL2237626 0.76 MEN1 (0.76) RAB9ANPC1MAOBCTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634403-B1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA MAX PLANCK GESELLSCHAFT (DE) 2025-06-25 EP disclosed
US-11180518-B2 Phenyl-heterocycle-phenyl derivatives for use in the treatment or prevention of melanoma MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-11-23 US disclosed
US-11180518-B2 Phenyl-heterocycle-phenyl derivatives for use in the treatment or prevention of melanoma MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-11-23 US disclosed
US-20200165279-A1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-05-28 US disclosed
US-20200165279-A1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-05-28 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-20200165279-A1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA TYR, MITF, VHL RAB9A 2195/4885NPC1 1279/4885MAOB 83/4885
US-11180518-B2 Phenyl-heterocycle-phenyl derivatives for use in the treatment or prevention of melanoma TYR, MITF, VHL RAB9A 2195/4885NPC1 1279/4885MAOB 83/4885

“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.