SCHEMBL1007966

SCHEMBL1007966

c1ccc(CC2(Cc3ccccc3)COCCOCCOCCOCCOCCOCCOCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR1A P08908 2/20 0.35
LMNA P02545 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
FKBP1A P62942 1/20 0.33
KDM1A O60341 2/20 0.33
ADRA1D P25100 1/20 0.32

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
SCHEMBL1009359 1.00 MAOA (0.38) MAOAMAOBPOLBSIGMAR1HTR1A
SCHEMBL1009707 1.00 MAOA (0.38) MAOAMAOBPOLBSIGMAR1HTR1A
SCHEMBL180960 0.98 MAOA (0.39) MAOAMAOBPOLBSIGMAR1HTR1A
SCHEMBL706405 0.91 MAOA (0.35) MAOAMAOBPOLBSIGMAR1HTR1A
SCHEMBL8019177 0.90 MAOA (0.34) MAOAMAOBPOLBSIGMAR1LMNA
SCHEMBL11267300 0.88 MAOA (0.35) MAOAMAOBHTR1AKDM1AADRA1D
SCHEMBL3886896 0.88 MAOA (0.39) MAOAMAOBHTR1AMEN1KMT2A
SCHEMBL3885101 0.88 MAOA (0.35) MAOAMAOBPOLBHTR1ALMNA
SCHEMBL8678876 0.87 MEN1 (0.36) MAOAMAOBPOLBSIGMAR1MEN1
SCHEMBL10974727 0.85 TDP1 (0.33) MAOAMAOBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124930-A1 PROCESS MEXICHEM AMANCO HOLDING S.A. DE C.V. (MX) 2011-05-26 US disclosed
US-20110118513-A1 PROCESS INEOS FLUOR HOLDINGS LIMITED (GB) 2011-05-19 US disclosed
US-20110112340-A1 PROCESS MEXICHEM AMANCO HOLDING S.A. DE C.V. (MX) 2011-05-12 US disclosed
US-20110112338-A1 Process for the Preparation of 2,3,33-Trifluoropropene MEXICHEM/ AMANCO HOLDING S.A. DE C.V. (MX) 2011-05-12 US disclosed
EP-2297073-A1 PROCESS FOR THE PREPARATION OF 2, 3, 3, 3-TRIFLUOROPROPENE Mexichem Amanco Holdings S.A. de C.V. (MX) 2011-03-23 EP disclosed
EP-2294040-A2 PROCESS FOR THE PREPARATION OF 2,3,3,3-TETRAFLUOROPROPENE Mexichem Amanco Holdings S.A. de C.V. (MX) 2011-03-16 EP disclosed
EP-2285761-A2 PROCESS FOR THE PREPARATION OF 1,1,1-TRIFLUORO-2,3-DICHLOROPROPANE Mexichem Amanco Holdings S.A. de C.V. (MX) 2011-02-23 EP disclosed
EP-2268595-A2 PROCESS FOR THE PREPARATION OF 2,3,3,3-TETRAFLUOROPROPENE Mexichem Amanco Holdings S.A. de C.V. (MX) 2011-01-05 EP disclosed
EP-2121548-A2 PROCESS FOR THE PREPARATION OF C3-7 FLUOROALKENES BY BASE-MEDIATED DEHYDROHALOGENATATION OF HYDROHALOGENATED C3-7 FLUOROALKANES Ineos Fluor Holdings Limited (GB) 2009-11-25 EP disclosed
WO-2008075017-A2 PROCESS FOR THE PREPARATION OF C3-7 FLUOROALKENES BY BASE-MEDIATED DEHYDROHALOGENATATION OF HYDROHALOGENATED C3 -7 FLUOROALKANES INEOS FLUOR HOLDINGS LIMITED (GB) 2008-06-26 WO 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 (3 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-20110124930-A1 PROCESS CYP2F1, CYP4F3, CYP4F11 MAOA 1882/4885MAOB 844/4885POLB 374/4885
US-20110112340-A1 PROCESS CYP2F1, CYP4F11, CYP4F2 MAOA 1349/4885MAOB 912/4885POLB 983/4885
US-20110118513-A1 PROCESS DCAF1, CYP4F3, CLTB MAOA 3903/4885MAOB 2436/4885POLB 511/4885

“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.