SCHEMBL7705783

SCHEMBL7705783

O=C(/C=C\C=C\c1ccccc1)/C=C\C=C\c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
MAPT P10636 3/20 0.71
LMNA P02545 3/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2D6 P10635 2/20 0.71
PLIN1 O60240 2/20 0.71
RECQL P46063 2/20 0.71
PLIN5 Q00G26 2/20 0.71
ABHD5 Q8WTS1 2/20 0.71
CYP2C9 P11712 1/20 0.71
F3 P13726 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HDAC3 O15379 3/20 0.68
HDAC4 P56524 3/20 0.68
HDAC1 Q13547 3/20 0.68
HDAC2 Q92769 3/20 0.68
HDAC8 Q9BY41 3/20 0.68
HDAC6 Q9UBN7 3/20 0.68
HDAC7 Q8WUI4 2/20 0.68
HDAC10 Q969S8 2/20 0.68

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
SCHEMBL7062539 1.00 ALDH1A1 (0.71) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL243734 1.00 ALDH1A1 (0.71) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL243733 1.00 ALDH1A1 (0.71) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL28072090 0.88 HDAC3 (0.59) ALDH1A1MAPTLMNACYP1A2CYP2D6
Juarezic Acid SCHEMBL11522747 0.86 HDAC3 (0.71) ALDH1A1MAPTLMNACYP1A2CYP2D6
Juarezic Acid SCHEMBL474728 0.86 HDAC3 (0.71) ALDH1A1MAPTLMNACYP1A2CYP2D6
Juarezic Acid SCHEMBL144681 0.86 HDAC3 (0.71) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL9355975 0.86 HDAC3 (0.68) ALDH1A1MAPTLMNACYP1A2CYP2D6
Juarezic Acid SCHEMBL436113 0.86 HDAC3 (0.71) ALDH1A1MAPTLMNACYP1A2CYP2D6
Juarezic Acid SCHEMBL144680 0.86 HDAC3 (0.71) ALDH1A1MAPTLMNACYP1A2CYP2D6

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-20240239736-A1 METHOD FOR PRODUCING METHYLENEMALONIC ACID ESTER NIPPON SHOKUBAI CO., LTD. (JP) 2024-07-18 US disclosed
US-6362312-B1 USING MONTMORILLONITE CLAY CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
US-5070001-A LIGHT-SENSITIVE MIXTURE FOR PRODUCING POSITIVE OR NEGATIVE RELIEF COPIES HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-03 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-20240239736-A1 METHOD FOR PRODUCING METHYLENEMALONIC ACID ESTER MPST, ME1, ME3 ALDH1A1 93/4885MAPT 3678/4885LMNA 2947/4885

“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.