SCHEMBL29497429

SCHEMBL29497429

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)[C@@H](CCCCC(C)(C)O)OC)CC[C@@H]23)C[C@@H](O)C[C@@H]1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 9/20 0.70
▸ MAPT P10636 3/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ ADORA3 P0DMS8 2/20 0.70
▸ SLC6A2 P23975 2/20 0.70
▸ AGTR1 P30556 2/20 0.70
▸ NR1I2 O75469 1/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ GC P02774 1/20 0.70
▸ PGR P06401 1/20 0.70
▸ RXRA P19793 1/20 0.70
▸ CHRM3 P20309 1/20 0.70
▸ CNR1 P21554 1/20 0.70
▸ HTR2C P28335 1/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ SLC6A4 P31645 1/20 0.70
▸ ADRA1A P35348 1/20 0.70
▸ PTGS2 P35354 1/20 0.70
▸ OPRD1 P41143 1/20 0.70
▸ OPRK1 P41145 1/20 0.70

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
SCHEMBL12028973 0.94 VDR (0.79) VDRMAPTSMN1; SMN2ADORA3SLC6A2
SCHEMBL9816563 0.90 VDR (0.76) VDRMAPTSMN1; SMN2ADORA3SLC6A2
SCHEMBL5614217 0.90 VDR (0.76) VDRMAPTSMN1; SMN2ADORA3SLC6A2
SCHEMBL9816725 0.90 VDR (0.76) VDRMAPTSMN1; SMN2ADORA3SLC6A2
SCHEMBL14494233 0.89 VDR (0.85) VDRMAPTSMN1; SMN2ADORA3SLC6A2
SCHEMBL14017040 0.89 VDR (0.85) VDRMAPTSMN1; SMN2ADORA3SLC6A2
Calcitriol SCHEMBL24066838 0.83 VDR (1.00) VDRMAPTSMN1; SMN2ADORA3SLC6A2
Calcitriol SCHEMBL15263133 0.83 VDR (1.00) VDRMAPTSMN1; SMN2ADORA3SLC6A2
Calcitriol SCHEMBL93587 0.83 VDR (1.00) VDRMAPTSMN1; SMN2ADORA3SLC6A2
Calcitriol SCHEMBL21055106 0.83 VDR (1.00) VDRMAPTSMN1; SMN2ADORA3SLC6A2

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-12324435-B2 Combination of novel nitrification inhibitors and herbicides as well as combination of (thio)phosphoric acid triamides and herbicides BASF SE (DE) 2025-06-10 — — US disclosed
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 — — 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 (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-12324435-B2 Combination of novel nitrification inhibitors and herbicides as well as combination of (thio)phosphoric acid triamides and herbicides NMT2, NAPRT, NAMPT VDR 3832/4885MAPT 1437/4885SMN1; SMN2 3653/4885
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT VDR 3832/4885MAPT 1437/4885SMN1; SMN2 3653/4885

“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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