SCHEMBL1787909

SCHEMBL1787909

O=C(O)C[C@@H]1C[C@@H]2C=C[C@@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 3/20 0.45
SLC6A11 P48066 3/20 0.45
SLC6A13 Q9NSD5 3/20 0.45
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 2/20 0.40
TSHR P16473 1/20 0.39
EPHX2 P34913 2/20 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
SCHEMBL17934358 1.00 SLC6A12 (0.45) SLC6A12SLC6A11SLC6A13KDM4EALDH1A1
SCHEMBL75258 1.00 SLC6A12 (0.45) SLC6A12SLC6A11SLC6A13KDM4EALDH1A1
SCHEMBL9887148 1.00 SLC6A12 (0.45) SLC6A12SLC6A11SLC6A13KDM4EALDH1A1
SCHEMBL29936790 1.00 SLC6A12 (0.45) SLC6A12SLC6A11SLC6A13KDM4EALDH1A1
SCHEMBL560786 1.00 SLC6A12 (0.45) SLC6A12SLC6A11SLC6A13KDM4EALDH1A1
SCHEMBL23694121 1.00 SLC6A12 (0.45) SLC6A12SLC6A11SLC6A13KDM4EALDH1A1
SCHEMBL17331216 1.00 SLC6A12 (0.45) SLC6A12SLC6A11SLC6A13KDM4EALDH1A1
SCHEMBL2380644 0.93 KDM4E (0.40) SLC6A12SLC6A11SLC6A13KDM4EALDH1A1
Dimethyl Succinate SCHEMBL29206226 0.85 TSHR (0.39) SLC6A12SLC6A11SLC6A13KDM4EALDH1A1
SCHEMBL8464466 0.85 KDM4E (0.42) KDM4EALDH1A1TDP1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3566750-A2 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS ImmunoGen, Inc. (US) 2019-11-13 EP disclosed
US-9999680-B2 Conjugates comprising cell-binding agents and maytansinoids as cytotoxic agents IMMUNOGEN, INC. (US) 2018-06-19 US disclosed
US-20150359903-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND MAYTANSINOIDS AS CYTOTOXIC AGENTS IMMUNOGEN, INC. 2015-12-17 US disclosed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 US disclosed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 US disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 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 (3 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 SLC6A12 2466/4885SLC6A11 262/4885SLC6A13 396/4885
US-20150359903-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND MAYTANSINOIDS AS CYTOTOXIC AGENTS ABCB1, CD47, PCNA SLC6A12 863/4885SLC6A11 521/4885SLC6A13 641/4885
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 SLC6A12 2038/4885SLC6A11 244/4885SLC6A13 344/4885

“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.