SCHEMBL13838303

SCHEMBL13838303

CC(C)NCC(O)COCCOc1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ ADRB2 P07550 5/20 0.59
▸ ADRB1 P08588 5/20 0.59
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ PTGS1 P23219 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ ADRB3 P13945 2/20 0.55
▸ CYP2D6 P10635 3/20 0.55
▸ NR3C1 P04150 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ CYP2J2 P51589 1/20 0.53
▸ PDE4D Q08499 1/20 0.53

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
SCHEMBL16134310 1.00 MEN1 (0.70) MEN1KMT2AADRB2ADRB1POLB
SCHEMBL16134306 1.00 MEN1 (0.70) MEN1KMT2AADRB2ADRB1POLB
Hydrochloric Acid SCHEMBL13737653 0.99 MEN1 (0.73) MEN1KMT2AADRB2ADRB1POLB
SCHEMBL11576265 0.92 PTGS1 (0.68) MEN1KMT2AADRB2ADRB1MAPT
SCHEMBL7953135 0.87 PTGS1 (0.74) MEN1KMT2AADRB2ADRB1MAPT
SCHEMBL10793188 0.86 ADRB1 (0.68) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL13589887 0.86 ADRB2 (0.75) MEN1KMT2AADRB2ADRB1POLB
Hydrochloric Acid SCHEMBL10796153 0.85 ADRB1 (0.67) MEN1KMT2AADRB2ADRB1MAPT
SCHEMBL9452451 0.81 MAPT (0.66) MEN1KMT2AADRB2ADRB1MAPT
SCHEMBL8665957 0.80 MAPT (0.64) MEN1KMT2AADRB2ADRB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10849863-B2 Compounds for treating cancer, for administering, and for pharmaceutical compositions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2020-12-01 — — US disclosed
US-20140296242-A1 COMPOUNDS FOR TREATING CANCER, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-10-02 — — US disclosed
US-20140296242-A1 COMPOUNDS FOR TREATING CANCER, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-10-02 — — US disclosed
WO-2012149266-A1 COMPOUNDS FOR TREATING CANCER, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2012-11-01 — — 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-20140296242-A1 COMPOUNDS FOR TREATING CANCER, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS VHL, XPOT, XPO5 MEN1 43/4885KMT2A 792/4885ADRB2 3272/4885
US-10849863-B2 Compounds for treating cancer, for administering, and for pharmaceutical compositions VHL, XPOT, XPO5 MEN1 43/4885KMT2A 792/4885ADRB2 3272/4885

“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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