SCHEMBL11954834

SCHEMBL11954834

COc1cccc(C)c1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL17244833 0.98 ABCB1 (0.38) ABCB1SIGMAR1SMN1; SMN2GAAHPGD
SCHEMBL1102294 0.91 ABCB1 (0.43) ABCB1SIGMAR1SMN1; SMN2HPGDLMNA
SCHEMBL16694832 0.90 ABCB1 (0.41) ABCB1SMN1; SMN2HPGDLMNANPSR1
SCHEMBL19208899 0.86 ROCK2 (0.38) SIGMAR1GAALMNANPSR1ALDH1A1
SCHEMBL16626228 0.85 ABCB1 (0.39) ABCB1SIGMAR1SMN1; SMN2HPGDLMNA
SCHEMBL26556073 0.84 HTR1A (0.37) ABCB1SIGMAR1SMN1; SMN2HPGDLMNA
SCHEMBL17240346 0.83 ABCB1 (0.37) ABCB1SIGMAR1SMN1; SMN2LMNANPSR1
SCHEMBL2709792 0.83 HPGD (0.42) ABCB1SMN1; SMN2HPGDLMNA
SCHEMBL17200830 0.81 ABCB1 (0.40) ABCB1SIGMAR1SMN1; SMN2GAALMNA
SCHEMBL17529732 0.81 ABCB1 (0.46) ABCB1SIGMAR1SMN1; SMN2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
US-20120299468-A1 HIGH EFFICIENCY YELLOW EMITTERS FOR OLED APPLICATIONS UNIVERSAL DISPLAY CORPORATION (US) 2012-11-29 US disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 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 (2 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-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE PTK6, DCLK2, ERBB2 ABCB1 4589/4885SIGMAR1 3995/4885SMN1; SMN2 4433/4885
US-20120299468-A1 HIGH EFFICIENCY YELLOW EMITTERS FOR OLED APPLICATIONS OCIAD1, OCIAD2, JUND ABCB1 1712/4885SIGMAR1 310/4885SMN1; SMN2 3209/4885

“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.