SCHEMBL723358

SCHEMBL723358

Cc1[c]c2cccccc-2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
ESR2 Q92731 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 4/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14635117 0.82 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL1803708 0.81 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1L3MBTL1LMNA
SCHEMBL698135 0.80 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1L3MBTL1LMNA
SCHEMBL714544 0.79 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1ESR2BACE1
SCHEMBL195576 0.77 LMNA (0.36) ALDH1A1RAB9ANPC1L3MBTL1LMNA
SCHEMBL723026 0.75 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1L3MBTL1LMNA
SCHEMBL1068489 0.71 CYP1A2 (0.39) ALDH1A1RAB9ANPC1L3MBTL1LMNA
SCHEMBL1066310 0.71 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1L3MBTL1KDM4E
SCHEMBL721411 0.71 TP53 (0.36) ALDH1A1RAB9ANPC1L3MBTL1MAPT
SCHEMBL379055 0.71 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1LMNABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226326-B1 METHOD FOR PRODUCING ORGANIC ALKALI METAL COMPOUND AND METHOD FOR PRODUCING ORGANIC TRANSITION METAL COMPOUND MITSUI CHEMICALS INC (JP) 2016-02-17 EP disclosed
US-8409480-B2 Process for preparing organic alkali metal compound and organic transition metal compound MITSUI CHEMICALS, INC. (JP) 2013-04-02 US disclosed
US-20120049391-A1 PROCESS FOR PREPARING ORGANIC ALKALI METAL COMPOUND AND ORGANIC TRANSITION METAL COMPOUND MITSUI CHEMICALS, INC. 2012-03-01 US disclosed
EP-2226326-A1 METHOD FOR PRODUCING ORGANIC ALKALI METAL COMPOUND AND METHOD FOR PRODUCING ORGANIC TRANSITION METAL COMPOUND Mitsui Chemicals, Inc. (JP) 2010-09-08 EP disclosed
US-6849753-B2 Process for preparation of half-vanadocene compound NICHIA CORPORATION (JP) 2005-02-01 US disclosed
EP-1312610-B1 Process for preparation of half-vanadocene compound NICHIA CORP (JP) 2004-09-08 EP disclosed
US-20030109733-A1 Process for preparation of half-vanadocene compound UBE INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
CN-1420118-A Method for preparing semi-cyclopentadienyl vanadium NICHIA KAGAKU KOGYO KK (JP) 2003-05-28 CN disclosed
EP-1312610-A1 Process for preparation of half-vanadocene compound Nichia Corporation (JP) 2003-05-21 EP 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-20120049391-A1 PROCESS FOR PREPARING ORGANIC ALKALI METAL COMPOUND AND ORGANIC TRANSITION METAL COMPOUND NHP2, SSRP1, RER1 ALDH1A1 2243/4885RAB9A 302/4885NPC1 2382/4885
US-20030109733-A1 Process for preparation of half-vanadocene compound CPNE4, VDAC2, VDAC1 ALDH1A1 1870/4885RAB9A 2150/4885NPC1 434/4885

“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.