SCHEMBL19084237

SCHEMBL19084237

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL24288663 0.77 ALDH1A1 (0.36) MAPTKMT2AALDH1A1CYP2C19HIF1A
SCHEMBL22242761 0.73
SCHEMBL18935764 0.71 ALDH1A1 (0.34) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL21341273 0.71 MAPT (0.40) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL19798182 0.71 CNR1 (0.32)
SCHEMBL6743584 0.70
SCHEMBL23084933 0.70 MAPT (0.39) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL20936254 0.69 MAPT (0.45) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL18381166 0.69 MEN1 (0.38) MAPTKMT2AALDH1A1CYP3A4MAPK1
SCHEMBL9806389 0.69 MAPT (0.54) MAPTKMT2AALDH1A1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10240001-B2 O-hydroxy-functionalized diamines, polyimides, methods of making each, and methods of use KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2019-03-26 US disclosed
US-20170190842-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2017-07-06 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-20170190842-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE ALKBH3, AOC1, PAM MAPT 3676/4885KMT2A 354/4885ALDH1A1 540/4885
US-10240001-B2 O-hydroxy-functionalized diamines, polyimides, methods of making each, and methods of use ALKBH3, AOC1, PAM MAPT 3676/4885KMT2A 354/4885ALDH1A1 540/4885

“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.