SCHEMBL13841018

SCHEMBL13841018

COC(=O)C[C@H](C)COCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
NPC1 O15118 1/20 0.42
MMP1 P03956 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
SLC1A1 P43005 1/20 0.40
TSHR P16473 1/20 0.40
MME P08473 1/20 0.39
MAPT P10636 1/20 0.39
KCNA5 P22460 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL20233630 0.93 KMT2A (0.47) ABCB1NPC1ALDH1A1KDM4ELMNA
SCHEMBL19990164 0.81 HTT (0.46) ABCB1NPC1MMP1ALDH1A1KDM4E
SCHEMBL19990163 0.81 HTT (0.46) ABCB1NPC1MMP1ALDH1A1KDM4E
SCHEMBL3895456 0.79 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AMMP9MMP14
SCHEMBL13839552 0.79 TSHR (0.47) ALDH1A1KDM4EKMT2ASLC1A1TSHR
SCHEMBL3883464 0.79 TSHR (0.47) ALDH1A1KDM4EKMT2ASLC1A1TSHR
SCHEMBL4433529 0.79 SLC1A1 (0.49) NPC1ALDH1A1MAOBKMT2AMMP9
SCHEMBL4433522 0.79 SLC1A1 (0.49) NPC1ALDH1A1MAOBKMT2AMMP9
SCHEMBL27710469 0.78 KDM4E (0.49) ALDH1A1KDM4ELMNAKMT2AMMP9
SCHEMBL7423196 0.78 CA1 (0.57) ABCB1NPC1ALDH1A1KDM4ELMNA

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
US-7534777-B2 Des-C,D analogs of 1α,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 US disclosed
US-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-17 US disclosed
WO-2007028000-A2 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-03-08 WO 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-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 CYP24A1, VDR, CYP2R1 ABCB1 3285/4885NPC1 2184/4885MMP1 3931/4885

“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.