SCHEMBL4717042

SCHEMBL4717042

O=CCC12CC3CC(C1)CC(c1ccc(F)cc1)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
RAD52 P43351 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SPHK2 Q9NRA0 1/20 0.41
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4718166 0.86 LMNA (0.66) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL4713929 0.85 GRIN2D (0.54) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL4717867 0.75 OPRM1 (0.47) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL4219496 0.72 GRIN2D (0.70) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL22530506 0.72 LMNA (0.44) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL3893851 0.72 LMNA (0.63) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL1548732 0.71 KMT2A (0.53) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9748193 0.70 MEN1 (0.40) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL1548396 0.70 MEN1 (0.56) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4228209 0.68 KMT2A (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO claimed
US-10946000-B2 Method for treating cancer with combination therapy REDHILL BIOPHARMA LTD. (IL) 2021-03-16 US disclosed
US-20200113881-A1 METHOD FOR TREATING CANCER WITH COMBINATION THERAPY REDHILL BIOPHARMA LTD (IL) 2020-04-16 US disclosed
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP disclosed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 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 (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-10946000-B2 Method for treating cancer with combination therapy TPMT, KRAS, SDHA LMNA 3895/4885ALDH1A1 31/4885MEN1 3237/4885
US-20200113881-A1 METHOD FOR TREATING CANCER WITH COMBINATION THERAPY TPMT, KRAS, SDHA LMNA 3895/4885ALDH1A1 31/4885MEN1 3237/4885

“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.