SCHEMBL12047912

SCHEMBL12047912

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 1.00
▸ MAPT P10636 2/20 0.74
▸ NR1I2 O75469 1/20 0.74
▸ ABCB11 O95342 1/20 0.74
▸ GC P02774 1/20 0.74
▸ PGR P06401 1/20 0.74
▸ ADORA3 P0DMS8 1/20 0.74
▸ RXRA P19793 1/20 0.74
▸ CHRM3 P20309 1/20 0.74
▸ CNR1 P21554 1/20 0.74
▸ SLC6A2 P23975 1/20 0.74
▸ HTR2C P28335 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ AGTR1 P30556 1/20 0.74
▸ SLC6A4 P31645 1/20 0.74
▸ ADRA1A P35348 1/20 0.74
▸ PTGS2 P35354 1/20 0.74
▸ OPRD1 P41143 1/20 0.74
▸ OPRK1 P41145 1/20 0.74
▸ SLC6A3 Q01959 1/20 0.74

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
SCHEMBL14489107 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL3056435 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL13996344 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL19988205 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL26322255 0.94 VDR (0.88) VDRMAPTNR1I2ABCB11GC
SCHEMBL26322289 0.94 VDR (0.88) VDRMAPTNR1I2ABCB11GC
SCHEMBL3177008 0.91 VDR (0.84) VDRMAPTNR1I2ABCB11GC
SCHEMBL13392705 0.91 VDR (0.84) VDRMAPTNR1I2ABCB11GC
SCHEMBL13392172 0.91 VDR (0.84) VDRMAPTNR1I2ABCB11GC
SCHEMBL10307541 0.90 VDR (0.82) VDRMAPTNR1I2ABCB11GC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260041663-A1 PREVENTION OF ROSACEA INFLAMMATION UNIV CALIFORNIA (US) 2026-02-12 — — US claimed
US-20230181518-A1 PREVENTION OF ROSACEA INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-15 — — US claimed
US-20260041663-A1 PREVENTION OF ROSACEA INFLAMMATION UNIV CALIFORNIA (US) 2026-02-12 — — US disclosed
US-12285404-B2 Prevention of rosacea inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-29 — — US disclosed
EP-3603646-B1 VITAMIN D3 AND ANALOGS THEREOF FOR TREATING ALOPECIA BPGBIO INC (US) 2024-04-03 — — EP disclosed
US-11903952-B2 Vitamin D as an immune modulator to prevent immune-related complication from COVID-19 infection NORTHWESTERN UNIVERSITY (US) 2024-02-20 — — US disclosed
EP-3003497-B1 PREVENTING OR MITIGATING CHEMOTHERAPY INDUCED ALOPECIA USING VITAMIN D BPGBIO INC (US) 2024-02-14 — — EP disclosed
US-20230302022-A1 PREVENTING OR MITIGATING CHEMOTHERAPY INDUCED ALOPECIA USING VITAMIN D BERG SURVIVOR’S TRUST 2023-09-28 — — US disclosed
US-20230181518-A1 PREVENTION OF ROSACEA INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-15 — — US disclosed
US-20220362273-A1 COMBINATION THERAPY FOR TREATING OR PREVENTING SKIN DAMAGE CASE WESTERN RESERVE UNIVERSITY 2022-11-17 — — US disclosed
US-11382890-B2 Prevention of rosacea inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-12 — — US disclosed
US-11305016-B2 Vitamin D3 and analogs thereof for treating alopecia BERG LLC (US) 2022-04-19 — — US disclosed
US-9221753-B2 Process for the synthesis of vitamin D compounds and intermediates for the synthesis of the compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-12-29 — — US disclosed
US-9221753-B2 Process for the synthesis of vitamin D compounds and intermediates for the synthesis of the compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-12-29 — — US disclosed
US-20110319644-A1 PROCESS FOR PRODUCTION OF 1-HYDROXY-19-NORCYCLOVITAMIN D DERIVATIVE AND INTERMEDIATE FOR THE PRODUCTION MERCIAN CORPORATION (JP) 2011-12-29 — — US disclosed
US-20070135394-A1 Process for the synthesis of vitamin d compounds and intermediates for the synthesis of the compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-06-14 — — 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 (6 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-20110319644-A1 PROCESS FOR PRODUCTION OF 1-HYDROXY-19-NORCYCLOVITAMIN D DERIVATIVE AND INTERMEDIATE FOR THE PRODUCTION CYP24A1, CYP27B1, CYP2R1 VDR 4/4885MAPT 2485/4885NR1I2 1375/4885
US-20230302022-A1 PREVENTING OR MITIGATING CHEMOTHERAPY INDUCED ALOPECIA USING VITAMIN D CYP24A1, CYP2R1, VDR VDR 3/4885MAPT 3777/4885NR1I2 2459/4885
US-11305016-B2 Vitamin D3 and analogs thereof for treating alopecia CYP24A1, VDR, CYP2R1 VDR 2/4885MAPT 4027/4885NR1I2 1373/4885
US-20070135394-A1 Process for the synthesis of vitamin d compounds and intermediates for the synthesis of the compounds CYP24A1, CYP2R1, VDR VDR 3/4885MAPT 1284/4885NR1I2 3727/4885
US-11903952-B2 Vitamin D as an immune modulator to prevent immune-related complication from COVID-19 infection VDR, CYP24A1, GC VDR 1/4885MAPT 3896/4885NR1I2 1553/4885
US-20260041663-A1 PREVENTION OF ROSACEA INFLAMMATION CPA3, CTSD, TPSD1 VDR 8/4885MAPT 1379/4885NR1I2 2121/4885

“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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