SCHEMBL13325643

SCHEMBL13325643

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAP4K1 Q92918 1/20 0.40
SLC2A1 P11166 1/20 0.40
SLC2A2 P11168 1/20 0.40
SLC2A3 P11169 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13325640 0.85 ALDH1A1 (0.48) FGFR1SMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL13325762 0.78 FGFR1 (0.40) FGFR1SMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL11530601 0.75 CYP1A2 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL13325953 0.73 FGFR1 (0.36) FGFR1SMN1; SMN2MAP4K1SLC2A1SLC2A2
SCHEMBL13325646 0.71 DCTPP1 (0.51) SMN1; SMN2TSHRALDH1A1NPC1RAB9A
SCHEMBL13325652 0.71 HSD11B1 (0.40) SMN1; SMN2TSHRALDH1A1NPC1RAB9A
SCHEMBL13325639 0.70 IDO1 (0.48) ALDH1A1KDM4EMAPTHIF1AHPGD
SCHEMBL435000 0.69 HTT (0.59) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL9908306 0.67 DHODH (0.39) FGFR1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13325650 0.67 ALDH1A1 (0.50) SMN1; SMN2TSHRALDH1A1MEN1KMT2A

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 2924/4885SMN1; SMN2 2910/4885TSHR 1041/4885

“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.