SCHEMBL3869556

SCHEMBL3869556

O=C(O)C1=CC=CC(F)(C(F)(F)F)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL28064725 0.79 TSHR (0.33) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL4124190 0.76 TSHR (0.35) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL544788 0.76 TSHR (0.35) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL3961385 0.72 TSHR (0.38) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL28623336 0.71 TSHR (0.37) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL8210522 0.71 TSHR (0.37) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL28621880 0.71 TSHR (0.41) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL2655344 0.70 TSHR (0.32) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL466286 0.69 TSHR (0.36) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL9161010 0.69 TSHR (0.40) TSHRMAPK1HSD17B10TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
CN-1274670-C Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2006-09-13 CN disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US disclosed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US disclosed
CN-1323291-A Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2001-11-21 CN disclosed
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 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 (4 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-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A TSHR 2834/4885MAPK1 563/4885HSD17B10 2290/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A TSHR 2834/4885MAPK1 563/4885HSD17B10 2290/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 TSHR 2665/4885MAPK1 1207/4885HSD17B10 2155/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 TSHR 2665/4885MAPK1 1207/4885HSD17B10 2155/4885

“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.