SCHEMBL18023064

SCHEMBL18023064

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nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 5/20 0.80
▸ MAPT P10636 5/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.78
▸ SREBF1 P36956 1/20 0.78
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ CYP3A4 P08684 3/20 0.66
▸ ALOX15 P16050 3/20 0.66
▸ PGR P06401 2/20 0.66
▸ ADORA3 P0DMS8 2/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ CDC25A P30304 1/20 0.66
▸ HSPD1 P10809 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ TBXA2R P21731 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ GLRA1 P23415 1/20 0.66
▸ DRD3 P35462 1/20 0.66
▸ HSPE1 P61604 1/20 0.66

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
SCHEMBL6037770 1.00 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL8769443 1.00 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL12517774 1.00 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18021746 0.91 VDR (0.72) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL10349035 0.89 VDR (0.74) VDRMAPTSMN1; SMN2SREBF1PGR
Maxacalcitol SCHEMBL24066887 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL7084224 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL20460962 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL20460998 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL5153671 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469058-A1 ANTI-PARASITE COMPOUNDS Australian National University (AU) 2024-12-04 — — EP disclosed
WO-2023137529-A1 ANTI-PARASITE COMPOUNDS AUSTRALIAN NATIONAL UNIVERSITY (AU) 2023-07-27 — — WO disclosed
US-20160237030-A1 SYNTHETIC INTERMEDIATE OF MAXACALCITOL, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2016-08-18 — — 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-20160237030-A1 SYNTHETIC INTERMEDIATE OF MAXACALCITOL, PREPARATION METHOD THEREFOR AND USE THEREOF CYP24A1, CYP2R1, CYP27B1 VDR 9/4885MAPT 4136/4885SMN1; SMN2 4690/4885

“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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