SCHEMBL20278630

SCHEMBL20278630

O=c1ccc2c(Br)c3ccoc3c(OCCCO)c2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA2 P16389 2/20 0.56
▸ CYP1A1 P04798 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP1B1 Q16678 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ BACE1 P56817 3/20 0.47
▸ MAOA P21397 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ KCNA3 P22001 9/20 0.44
▸ KCNA5 P22460 6/20 0.44
▸ KCNA4 P22459 2/20 0.41
▸ KCNA1 Q09470 2/20 0.41
▸ KCNN4 O15554 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL7893642 0.88 KCNA2 (0.58) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL31117604 0.82 KCNA2 (0.57) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL4188097 0.82 KCNA2 (0.57) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL4187228 0.78 CYP3A4 (0.80) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL3519659 0.78 KCNA2 (0.47) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
Hydrochloric Acid SCHEMBL9222829 0.77 KCNA2 (0.54) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
Bromide SCHEMBL4319744 0.77 KCNA2 (0.46) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL10491029 0.76 MAOA (0.78) KCNA2KDM4ECYP1A2CYP1B1CYP3A4
SCHEMBL7521625 0.75 CYP3A4 (0.61) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL7895128 0.73 CYP3A4 (0.49) KCNA2CYP1A1KDM4ECYP1A2CYP1B1

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 KCNA2 4767/4885CYP1A1 1489/4885KDM4E 948/4885

“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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