SCHEMBL13325762

SCHEMBL13325762

COc1cccc(OC)c1-c1c(P(C(C)(C)C)C(C)(C)C)nnn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.40
MAP4K1 Q92918 1/20 0.38
ELANE P08246 2/20 0.36
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHODH Q02127 1/20 0.34
ATM Q13315 2/20 0.34
MPO P05164 1/20 0.34
TP53 P04637 2/20 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
SCHEMBL9908306 0.87 DHODH (0.39) FGFR1SLC2A1SLC2A2SLC2A3ALDH1A1
SCHEMBL13325724 0.79 NPC1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13325643 0.78 FGFR1 (0.46) FGFR1MAP4K1ELANESLC2A1SLC2A2
SCHEMBL13325953 0.77 FGFR1 (0.36) FGFR1MAP4K1ELANESLC2A1SLC2A2
SCHEMBL13325993 0.74 IDO1 (0.42) ALDH1A1SMN1; SMN2TSHRHSD17B10DHODH
SCHEMBL13325757 0.72 IDO1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13325640 0.67 ALDH1A1 (0.48) FGFR1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL2620734 0.62 TOP1 (0.42) FGFR1ELANEALDH1A1RAB9ASMN1; SMN2
SCHEMBL29185539 0.62 TOP1 (0.44) ELANEALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL4432356 0.61 CA1 (0.46) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709655-B2 Clickphosphines for transition metal-catalyzed reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-04 US disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 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-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK FGFR1 2924/4885MAP4K1 618/4885ELANE 4039/4885

“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.