SCHEMBL3461269

SCHEMBL3461269

[CH2]CC(C)(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
CYP2D6 P10635 2/20 0.50
LMNA P02545 1/20 0.50
TRPA1 O75762 1/20 0.44
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 3/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
FDPS P14324 1/20 0.38
CALM1 P0DP23 1/20 0.38
PRMT1 Q99873 1/20 0.36
MMP8 P22894 2/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL28813293 0.98 SLC6A2 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL1572105 0.85 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL28548162 0.80 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL17832229 0.79 SLC6A2 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL9542654 0.79 IDO1 (0.41) SLC6A2TAAR1CYP1A2SMN1; SMN2TSHR
SCHEMBL4352224 0.78 SLC6A2 (0.56) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL4661772 0.77 SLC6A2 (0.61) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL113690 0.76 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL11310649 0.76 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL3610318 0.76 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226632-B1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8450070-B2 Method for screening of cell-protecting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
US-20100279311-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-04 US disclosed
EP-2226632-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT Takeda Pharmaceutical Company Limited (JP) 2010-09-08 EP disclosed
WO-1993013089-A1 MACROCYCLIC POLYETHER CARBOXYLIC ACIDS URBAN FRANK J (US) 1993-07-08 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 (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-20100279311-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT HSF1, HSP90AB1, HSP90AA1 SLC6A2 4495/4885TAAR1 4757/4885CYP2D6 4356/4885

“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.