SCHEMBL1874571

SCHEMBL1874571

N#Cc1ccc(-c2ccc(OCCCCCCCCCCCCOC(=O)c3ccc(-c4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MMP3 P08254 6/20 0.54
LMNA P02545 2/20 0.54
ESR1 P03372 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MMP2 P08253 5/20 0.53
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
RARB P10826 3/20 0.46

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
Phenol SCHEMBL1877890 0.95 MMP2 (0.52) HDAC1HDAC2MMP3LMNAESR1
SCHEMBL26418711 0.95 HDAC1 (0.61) HDAC1HDAC2MMP3MMP2ALDH1A1
SCHEMBL12670743 0.85 MMP3 (0.53) HDAC1HDAC2MMP3LMNASMN1; SMN2
SCHEMBL29266641 0.83 HDAC1 (0.52) HDAC1HDAC2MMP3MMP2ALDH1A1
SCHEMBL29290457 0.83 HDAC1 (0.52) HDAC1HDAC2MMP3MMP2ALDH1A1
SCHEMBL29266656 0.83 HDAC1 (0.52) HDAC1HDAC2MMP3MMP2ALDH1A1
SCHEMBL29266684 0.83 HDAC1 (0.52) HDAC1HDAC2MMP3MMP2ALDH1A1
SCHEMBL6393672 0.80 POLB (0.62) LMNAESR1CYP1A2CYP2D6TSHR
SCHEMBL4575829 0.80 TSHR (0.79) LMNAESR1CYP1A2CYP2D6TSHR
SCHEMBL29321625 0.80 ALDH1A1 (0.49) HDAC1HDAC2MMP3TSHRMMP2

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-7947802-B2 Benzoxazine monomers, polymers and compositions CASE WESTERN RESERVE UNIVERSITY (US) 2011-05-24 US disclosed
US-20090069533-A1 Benzoxazine monomers, polymers and compositions CASE WESTERN RESERVE UNIVERSITY 2009-03-12 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-20090069533-A1 Benzoxazine monomers, polymers and compositions MUS81, DDX42, BRAP HDAC1 2105/4885HDAC2 2894/4885MMP3 4589/4885

“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.