SCHEMBL18021756

SCHEMBL18021756

C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)OCC3OC3(C)C)CC[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ SREBF1 P36956 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ HSPD1 P10809 2/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ HSPE1 P61604 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ GLRA1 P23415 1/20 0.47
▸ DRD3 P35462 1/20 0.47

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
SCHEMBL18023733 1.00 VDR (0.49) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL23464257 0.88 VDR (0.52) VDRMAPTSMN1; SMN2PGRADORA3
SCHEMBL20461051 0.88 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18023723 0.88 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18021744 0.88 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL14112585 0.86 MAPT (0.56) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL20461021 0.86 ALDH1A1 (0.54) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18023732 0.86 ALDH1A1 (0.54) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL20461000 0.86 ALDH1A1 (0.54) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18021750 0.86 ALDH1A1 (0.54) VDRMAPTSMN1; SMN2SREBF1MEN1

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-20160237030-A1 SYNTHETIC INTERMEDIATE OF MAXACALCITOL, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2016-08-18 — — US 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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