SCHEMBL23082201

SCHEMBL23082201

OCCOc1ccc(C(c2ccccc2)c2ccc(OCCO)cc2OCCO)c(OCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
GAA P10253 1/20 0.43
PDK2 Q15119 1/20 0.38
IDO1 P14902 1/20 0.37
MMP3 P08254 1/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ADRB2 P07550 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
CYP19A1 P11511 1/20 0.35
NR1I2 O75469 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
SCHEMBL23082132 0.94 ALDH1A1 (0.46) ALDH1A1RECQLGAAPDK2IDO1
SCHEMBL23082279 0.85 DRD4 (0.43) ALDH1A1CYP19A1SLC6A2SLC6A3
SCHEMBL23082199 0.82 MMP3 (0.42) GAAMMP3PPARGPPARDPPARA
SCHEMBL19806854 0.80 ALDH1A1 (0.47) ALDH1A1RECQLGAAIDO1MMP3
SCHEMBL21903451 0.79 ALDH1A1 (0.47) ALDH1A1RECQLGAAIDO1ADRB2
SCHEMBL21903452 0.79 ALDH1A1 (0.67) ALDH1A1RECQLGAAMMP3GPR88
SCHEMBL23085031 0.78 TDP1 (0.38) ALDH1A1
SCHEMBL20090507 0.78 MAPK1 (0.41) ALDH1A1RECQL
SCHEMBL20365718 0.76 ALDH1A1 (0.41) ALDH1A1RECQLGAAIDO1MMP3
SCHEMBL23651656 0.76 ALDH1A1 (0.41) ALDH1A1RECQLGAAIDO1MMP3

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-20210070685-A1 COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD AND CIRCUIT PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-11 US disclosed
US-20210070727-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-11 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-20210070727-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD RDX, RTN4, CROCC ALDH1A1 2692/4885RECQL 3183/4885GAA 2607/4885
US-20210070685-A1 COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD AND CIRCUIT PATTERN FORMATION METHOD RER1, RTN4, FEM1B ALDH1A1 2915/4885RECQL 2693/4885GAA 4336/4885

“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.