SCHEMBL9010649

SCHEMBL9010649

CC(=O)[C@H]1CC[C@H]2[C@@H](C)CCC[C@]12C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46
GABRE P78334 3/20 0.46
GABRA6 Q16445 3/20 0.46
GABRG1 Q8N1C3 3/20 0.46
GABRG3 Q99928 3/20 0.46
GABRQ Q9UN88 3/20 0.46
G6PD P11413 2/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 1/20 0.46
GMNN O75496 1/20 0.46

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
SCHEMBL15045297 1.00 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10125295 0.82 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12885835 0.82 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10125292 0.78 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31267268 0.77 MEN1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10125299 0.77 MEN1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9009451 0.77 MEN1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9009430 0.77 MEN1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12883265 0.75 CYP19A1 (0.43) CYP3A4MEN1LMNAKMT2AMAPK1
SCHEMBL13821647 0.73 UGT2B7 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575136-B2 2-methylene-1α-hydroxy-18,19,21-trinorvitamin D3 analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-11-05 US disclosed
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 US disclosed
US-7893043-B2 2-methylene-(17Z)-17(20)-dehydro-19,21-dinor-1 alpha ,25-dihydroxyvitamin D3; exhibits relatively high transcription activity as well as pronounced activity in arresting proliferation of undifferentiated cells and inducing their differentiation to the monocyte thus evidencing use as an anti-cancer agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-02-22 US disclosed
US-7704981-B2 2-methylene-1alpha,25-dihydroxy-18,19,21-trinorvitamin D3 and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-04-27 US disclosed
US-7704982-B2 2-methylene-19-nor-1α-hydroxy-17-ene-homopregnacalciferol and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-04-27 US disclosed
US-7648972-B2 2-methylene-1α-hydroxy-19,21-dinorvitamin D3 analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-19 US disclosed
US-7648973-B2 2-methylene-1α,25-dihydroxy-19,21-dinorvitamin D3 analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-19 US disclosed
US-20100009942-A1 2-Methylene-(17Z)-17(20)-Dehydro-19,21-Dinor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-01-14 US disclosed
US-20070249569-A1 2-Methylene-19-nor-1alpha-hydroxy-17-ene-homopregnacalciferol and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-25 US disclosed
US-20070238705-A1 2-Methylene-1Alpha,25-Dihydroxy-18,19,21-Trinorvitamin D3 and Uses Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-10-11 US disclosed
US-20070238702-A1 2-Methylene-1Alpha-Hydroxy-19,21-Dinorvitamin D3 Analogs and Uses Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-10-11 US disclosed
US-20070238701-A1 2-Methylene-1alpha-Hydroxy-18,19,21-Trinorvitamin D3 Analogs and Uses Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-10-11 US disclosed
US-20070238706-A1 Metabolic bone disease; psoriasis; leukemia; colon, breast, prostate, skin, lung cancer; multiple sclerosis; lupus; diabetes mellitus; host versus graft reaction; rejection of organ transplants; an inflammatory disease selected from rheumatoid arthritis, asthma, psoriasis WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-10-11 US disclosed
US-7241750-B2 2-methylene-19-nor-1alpha-hydroxy-17-ene-homopregnacalciferol and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-10 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-20070238702-A1 2-Methylene-1Alpha-Hydroxy-19,21-Dinorvitamin D3 Analogs and Uses Thereof CYP24A1, CYP27B1, CYP2R1 GABRP 2723/4885GABRD 520/4885GABRA1 2375/4885
US-20070238706-A1 Metabolic bone disease; psoriasis; leukemia; colon, breast, prostate, skin, lung cancer; multiple sclerosis; lupus; diabetes mellitus; host versus graft reaction; rejection of organ transplants; an inflammatory disease selected from rheumatoid arthritis, asthma, psoriasis SHBG, HLA-DRB1, BRCA1 GABRP 3652/4885GABRD 3435/4885GABRA1 2553/4885
US-20070238701-A1 2-Methylene-1alpha-Hydroxy-18,19,21-Trinorvitamin D3 Analogs and Uses Thereof CYP24A1, CYP27B1, CYP2R1 GABRP 2699/4885GABRD 666/4885GABRA1 2574/4885
US-20070249569-A1 2-Methylene-19-nor-1alpha-hydroxy-17-ene-homopregnacalciferol and its uses CYP27B1, CYP24A1, CYP2R1 GABRP 2735/4885GABRD 481/4885GABRA1 1939/4885
US-20070238705-A1 2-Methylene-1Alpha,25-Dihydroxy-18,19,21-Trinorvitamin D3 and Uses Thereof CYP24A1, CYP27B1, CYP2R1 GABRP 3258/4885GABRD 753/4885GABRA1 3179/4885
US-20100009942-A1 2-Methylene-(17Z)-17(20)-Dehydro-19,21-Dinor-Vitamin D Analogs CYP24A1, CYP27B1, VDR GABRP 2031/4885GABRD 343/4885GABRA1 1438/4885

“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.