SCHEMBL1044368

SCHEMBL1044368

O=Cc1cc(C(F)(F)F)ccc1OC[C@H]1CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.45
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ VDR P11473 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ DRD4 P21917 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL8105582 1.00 TSHR (0.45) TSHRALDH1A1KMT2ATP53MAPT
SCHEMBL7815856 0.83 TSHR (0.44) TSHRALDH1A1KMT2ATP53MAPT
SCHEMBL7815857 0.83 TSHR (0.44) TSHRALDH1A1KMT2ATP53MAPT
SCHEMBL1042756 0.82 ALDH1A1 (0.46) TSHRALDH1A1TP53MAPTHIF1A
SCHEMBL29481810 0.82 ALDH1A1 (0.46) TSHRALDH1A1TP53MAPTHIF1A
SCHEMBL17861527 0.82 ALDH1A1 (0.46) TSHRALDH1A1TP53MAPTHIF1A
SCHEMBL1044996 0.82 ALDH1A1 (0.46) TSHRALDH1A1TP53MAPTHIF1A
SCHEMBL909427 0.79 TSHR (0.47) TSHRALDH1A1KMT2ATP53MAPT
SCHEMBL1042450 0.79 ALDH1A1 (0.43) TSHRALDH1A1KMT2ATP53HPGD
SCHEMBL1019728 0.79 PTGDR2 (0.55) TSHRALDH1A1TP53MAPTHPGD

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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 — — US disclosed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 — — EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 — — WO disclosed
US-6136825-A ANTIDEPRESSANTS AND CENTRAL NERVOUS SYSTEM AGENTS KNOLL AKTIENGESELLSCHAFT 2000-10-24 — — 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 (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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 TSHR 2081/4885ALDH1A1 1056/4885KMT2A 2803/4885

“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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