SCHEMBL20598136

SCHEMBL20598136

CC(=O)OCCCC(COC(C)=O)C(OC(C)=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.35
CA2 P00918 1/20 0.32
ALOX5 P09917 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RAD52 P43351 1/20 0.30

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
SCHEMBL20598175 0.96 CYP19A1 (0.39) CYP19A1ALDH1A1CYP1A2CA2ALOX5
SCHEMBL20598318 0.78 CYP19A1 (0.44) CYP19A1ALDH1A1CYP1A2ALOX5TDP1
SCHEMBL2602795 0.74 CYP1A2 (0.47) ALDH1A1CYP1A2CA2ALOX5
SCHEMBL18986552 0.74 CYP1A2 (0.41) CYP19A1ALDH1A1CYP1A2ALOX5
SCHEMBL11078686 0.73 CYP19A1 (0.40) CYP19A1ALDH1A1CYP1A2TDP1
SCHEMBL28813151 0.70 CYP1A2 (0.43) ALDH1A1CYP1A2ALOX5TDP1
SCHEMBL13130582 0.70 CYP19A1 (0.43) CYP19A1ALDH1A1CYP1A2
SCHEMBL18986553 0.70 CYP1A2 (0.46) CYP19A1ALDH1A1CYP1A2ALOX5
SCHEMBL27900437 0.70 CYP1A2 (0.46) CYP19A1ALDH1A1CYP1A2ALOX5
SCHEMBL4763973 0.69 CYP1A2 (0.42) ALDH1A1CYP1A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108366938-B Biaromatic vitamin D analogs 帝斯曼知识产权资产管理有限公司 2021-08-24 CN disclosed
EP-3389606-B1 BIAROMATIC VITAMIN D ANALOGS DSM IP ASSETS BV (NL) 2020-07-15 EP disclosed
US-10336675-B2 Biaromatic vitamin D analogs DSM IP ASSETS B.V. (NL) 2019-07-02 US disclosed
US-20190002378-A1 BIAROMATIC VITAMIN D ANALOGS DSM IP ASSETS B.V. (NL) 2019-01-03 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-20190002378-A1 BIAROMATIC VITAMIN D ANALOGS CYP24A1, VDR, CYP2R1 CYP19A1 13/4885ALDH1A1 386/4885CYP1A2 122/4885
US-10336675-B2 Biaromatic vitamin D analogs CYP24A1, VDR, CYP2R1 CYP19A1 13/4885ALDH1A1 386/4885CYP1A2 122/4885

“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.