SCHEMBL6489407

SCHEMBL6489407

OC(CCl)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK1 P28482 1/20 0.39
AOC3 Q16853 3/20 0.39
GMNN O75496 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL19340077 1.00 TACR1 (0.43) TACR1LMNAKDM4EL3MBTL1TSHR
SCHEMBL14626065 0.81 SLC6A2 (0.52) LMNAKDM4EL3MBTL1TSHRMEN1
SCHEMBL10505733 0.79 TSHR (0.44) LMNAKDM4EL3MBTL1TSHRHIF1A
SCHEMBL246459 0.78 LMNA (0.44) TACR1LMNAKDM4EL3MBTL1TSHR
SCHEMBL301347 0.78 LMNA (0.44) TACR1LMNAKDM4EL3MBTL1TSHR
SCHEMBL7958722 0.76 TACR1 (0.43) TACR1LMNAKDM4EL3MBTL1TSHR
SCHEMBL13567490 0.76 LMNA (0.60) TACR1LMNAKDM4EL3MBTL1HIF1A
SCHEMBL11635324 0.76 TACR1 (0.43) TACR1LMNAKDM4EL3MBTL1TSHR
SCHEMBL11633696 0.76 TAAR1 (0.54) TACR1LMNAAOC3SLC6A2SLC6A4
SCHEMBL219295 0.75 LMNA (0.58) LMNAKDM4EL3MBTL1TSHRAOC3

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-6888012-B2 Reducing an alpha -haloketone compound by asymmetric hydrogen transfer in presence of a group 9 transition metal compound having a substituted or unsubstituted cyclopentadienyl group and an optically active diamine compound AJINOMOTO CO., INC. (JP) 2005-05-03 US disclosed
US-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals AJINOMOTO CO., INC. (JP) 2004-04-29 US disclosed
EP-1346972-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOHYDRIN COMPOUND Ajinomoto Co., Inc. (JP) 2003-09-24 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 (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-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals DHPS, HDHD5, HYPK TACR1 4567/4885LMNA 4062/4885KDM4E 2681/4885

“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.