SCHEMBL4431940

SCHEMBL4431940

COc1ccc(/C=C/CCC(=O)O)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP1A1 P04798 8/20 0.58
CYP1A2 P05177 8/20 0.58
CYP1B1 Q16678 8/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LY96 Q9Y6Y9 1/20 0.56
TNFRSF1A P19438 1/20 0.55
NFE2L2 Q16236 2/20 0.53
MAPK1 P28482 1/20 0.51
BACE1 P56817 1/20 0.51
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50

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
SCHEMBL4431943 1.00 MAPT (0.60) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL3993756 0.81 NFE2L2 (0.58) MAPTALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL3993752 0.81 NFE2L2 (0.58) MAPTALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL13528990 0.79 CYP1A2 (0.62) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL2092229 0.79 CYP1A2 (0.70) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL2092230 0.79 CYP1A2 (0.70) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL6119425 0.78 ABCG2 (0.55) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL79457 0.77 MAPT (0.79) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL16710517 0.77 NPC1 (0.65) NPC1RAB9ABACE1CYP3A4HDAC6
SCHEMBL2090583 0.77 CYP1A2 (0.68) MAPTALDH1A1MEN1KMT2ACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541454-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-06-02 US disclosed
US-7541454-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-06-02 US disclosed
US-7541454-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-06-02 US disclosed
US-20050159606-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-07-21 US disclosed
WO-2005040357-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2005-05-06 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-20050159606-A1 Compounds and methods for fluorescent labeling TFEB, HLCS, PFAS MAPT 1854/4885ALDH1A1 514/4885MEN1 1387/4885

“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.