SCHEMBL20284169

SCHEMBL20284169

C=C(CCCCOc1c2occc2cc2ccc(=O)oc12)c1c2ccoc2c(OC(C)C)c2oc(=O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 5/20 0.54
▸ KCNA5 P22460 3/20 0.54
▸ MAOA P21397 2/20 0.53
▸ CA9 Q16790 1/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ BACE1 P56817 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP1B1 Q16678 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ ABCB1 P08183 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ MGAM O43451 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL18788583 0.78 CYP3A4 (0.71) KCNA3KCNA5MAOACA9CYP3A4
SCHEMBL10321423 0.75 MAOA (0.67) KCNA3KCNA5MAOACA9CYP3A4
SCHEMBL4274847 0.74 MAOA (0.65) KCNA3KCNA5MAOACA9CYP3A4
SCHEMBL11336521 0.73 MAOA (0.70) KCNA3KCNA5MAOACA9CYP3A4
SCHEMBL18788613 0.73 MAOA (0.74) KCNA3KCNA5MAOACA9CYP3A4
SCHEMBL18788619 0.73 MAOA (0.74) KCNA3KCNA5MAOACA9CYP3A4
SCHEMBL10491029 0.72 MAOA (0.78) KCNA3KCNA5MAOACA9CYP3A4
SCHEMBL18788617 0.72 MAOA (0.78) KCNA3KCNA5MAOACA9CYP3A4
SCHEMBL14677742 0.72 MAOA (0.73) KCNA3KCNA5MAOACA9CYP3A4
SCHEMBL31546585 0.72 MAOA (0.77) KCNA3KCNA5MAOACA9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 — — 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 (1 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-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES NFATC1, CDK10, PDCD10 KCNA3 4811/4885KCNA5 4175/4885MAOA 1133/4885

“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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