SCHEMBL362085

SCHEMBL362085

FC(F)(F)Oc1ccc(C[Mg]Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NOS3 P29474 2/20 0.42
▸ NOS1 P29475 2/20 0.42
▸ NOS2 P35228 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ DAO P14920 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL104233 0.78 ALDH1A1 (0.47) ALDH1A1TSHRSLC6A4GPR84DAO
SCHEMBL2092054 0.78 SLC6A4 (0.56) ALDH1A1TSHRSLC6A4GPR84DAO
SCHEMBL254957 0.76 MAPT (0.56) ALDH1A1TSHRMAOBAOC3EPHX2
SCHEMBL155707 0.76 TSHR (0.58) ALDH1A1TSHRNOS3NOS1NOS2
SCHEMBL3051500 0.75 DAO (0.47) ALDH1A1TSHRSLC6A4GPR84DAO
Ammonia Solution, Strong SCHEMBL25380785 0.74 TSHR (0.56) ALDH1A1TSHRNOS3NOS1NOS2
SCHEMBL1352897 0.74 ALDH1A1 (0.47) ALDH1A1TSHRSLC6A4GPR84DAO
SCHEMBL513339 0.74 MAPT (0.42) ALDH1A1TSHRNOS3NOS1NOS2
SCHEMBL363725 0.74 IDO1 (0.52) ALDH1A1TSHRSLC6A4MAOBMAPT
SCHEMBL1005875 0.74 ALDH1A1 (0.47) ALDH1A1TSHRSLC6A4GPR84DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226395-A1 THERMAL ENERGY STORAGE PHASE CHANGE MATERIALS COMPRISING BORONIC ACIDS AND METHODS OF MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2017-08-10 — — US disclosed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 ALDH1A1 132/4885TSHR 1223/4885NOS3 1597/4885

“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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