SCHEMBL3394710

SCHEMBL3394710

O=CCc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DHFR P00374 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TNK2 Q07912 3/20 0.38
TSHR P16473 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD11B1 P28845 1/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
HPGD P15428 1/20 0.34
PTPN1 P18031 1/20 0.33
GRM2 Q14416 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
SCHEMBL5671691 0.88 MEN1 (0.39) MEN1KMT2ADHFRALDH1A1KDM4E
SCHEMBL4381658 0.85 DHFR (0.45) MEN1KMT2ADHFRALDH1A1TNK2
SCHEMBL3500438 0.85 TNK2 (0.44) MEN1KMT2ADHFRALDH1A1KDM4E
SCHEMBL5168601 0.84 ALDH1A1 (0.41) MEN1KMT2ADHFRALDH1A1TNK2
SCHEMBL1004088 0.83 MEN1 (0.57) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL862862 0.83 MEN1 (0.43) MEN1KMT2ADHFRALDH1A1TNK2
SCHEMBL883393 0.83 DHFR (0.41) MEN1KMT2ADHFRALDH1A1TNK2
SCHEMBL5702480 0.83 DDB1 (0.41) MEN1KMT2ADHFRTNK2KDM4C
SCHEMBL3139148 0.83 DHFR (0.46) MEN1KMT2ADHFRALDH1A1TNK2
SCHEMBL7774639 0.83 DDB1 (0.41) MEN1KMT2ADHFRTNK2KDM4C

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
US-20200190024-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT CHA UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2020-06-18 US disclosed
EP-3626703-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Industry-Academic Cooperation Foundation, Yonsei University (KR) 2020-03-25 EP disclosed
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 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-20200190024-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT PRKAA1, PRKAA2, PRKAG1 MEN1 4068/4885KMT2A 3512/4885DHFR 3984/4885

“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.