SCHEMBL13325640

SCHEMBL13325640

COc1ccccc1-c1c(C)nnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PRNP P04156 1/20 0.48
HPGD P15428 1/20 0.48
PPARG P37231 1/20 0.48
GFER P55789 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KCNN4 O15554 4/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
DHODH Q02127 1/20 0.43
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL13325643 0.85 FGFR1 (0.46) ALDH1A1KDM4ELMNASMN1; SMN2PRNP
SCHEMBL13325646 0.81 DCTPP1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2IDO1
SCHEMBL9908306 0.78 DHODH (0.39) ALDH1A1KDM4ELMNASMN1; SMN2PRNP
SCHEMBL13325639 0.76 IDO1 (0.48) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL13325635 0.76 IDO1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2GFER
SCHEMBL11530601 0.75 CYP1A2 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL13325755 0.73 HPGD (0.39) LMNASMN1; SMN2HPGDHSD17B10KCNN4
SCHEMBL30001203 0.73 LMNA (0.53) ALDH1A1KDM4ELMNASMN1; SMN2PRNP
SCHEMBL31268510 0.73 MPO (0.60) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL435000 0.69 HTT (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDKMT2A

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 ALDH1A1 2744/4885KDM4E 1779/4885LMNA 4716/4885

“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.