SCHEMBL798172

SCHEMBL798172

CNCC=C(C)CCC=C(C)C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
FNTA P49354 3/20 0.56
FNTB P49356 3/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
UGT1A1 P22309 1/20 0.56
SQLE Q14534 4/20 0.54
TRPA1 O75762 1/20 0.51
KDM4E B2RXH2 1/20 0.50
PGGT1B P53609 1/20 0.49

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
SCHEMBL794656 1.00 KMT2A (0.62) KMT2AMEN1CYP3A4ALOX15FNTA
SCHEMBL20879345 1.00 KMT2A (0.62) KMT2AMEN1CYP3A4ALOX15FNTA
SCHEMBL8461809 0.98 KMT2A (0.67) KMT2AMEN1CYP3A4ALOX15FNTA
SCHEMBL3951138 0.98 KMT2A (0.67) KMT2AMEN1CYP3A4ALOX15FNTA
SCHEMBL2495182 0.84 KMT2A (0.65) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL31406757 0.82 KMT2A (0.70) KMT2AMEN1CYP3A4ALOX15FNTA
SCHEMBL11305628 0.82 KMT2A (0.62) KMT2AMEN1CYP3A4ALOX15FNTA
SCHEMBL31406758 0.82 KMT2A (0.70) KMT2AMEN1CYP3A4ALOX15FNTA
SCHEMBL11305625 0.82 KMT2A (0.62) KMT2AMEN1CYP3A4ALOX15FNTA
SCHEMBL31406762 0.82 KMT2A (0.70) KMT2AMEN1CYP3A4ALOX15FNTA

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-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2013-10-10 US claimed
EP-2616056-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS Neuroquest Inc. (CA) 2013-07-24 EP claimed
WO-2012034232-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2012-03-22 WO claimed
US-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2013-10-10 US disclosed
US-6991834-B1 Materials for inducing alignment of liquid crystals and liquid crystal optical elements ELSICON, INC. (US) 2006-01-31 US disclosed
US-6491988-B1 POLYAMIC ACID, POLYAMIDE ESTER AND POLYIMIDES; ANISOTROPICALLY ABSORBING; EXPOSING LAYER TO POLARIZED LIGHT; CROSSLINKING DIAMINES HAVING SIDE CHAINS OF C3-C22 LINEAR AND BRANCHED AND PARTIALLY FLUORINATED HYDROCARBONSCHAINS ELSICON, INC. 2002-12-10 US disclosed
US-6313348-B1 LIQUID CRYSTAL GIBBONS WAYNE M (US) 2001-11-06 US disclosed
US-6103322-A POLYAMIC ACID ELSICON INC. (US) 2000-08-15 US disclosed
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 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 (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-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS PMP22, PTGES, GGPS1 KMT2A 3842/4885MEN1 2728/4885CYP3A4 488/4885

“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.