SCHEMBL13701004

SCHEMBL13701004

Cc1cccc2c1oc1c(C=O)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
TRIM24 O15164 2/20 0.46
TRIM33 Q9UPN9 2/20 0.46
MCL1 Q07820 1/20 0.45
CYP1A2 P05177 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2A6 P11509 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRKDC P78527 2/20 0.37
ESR2 Q92731 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ELANE P08246 2/20 0.35
ERN1 O75460 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IMPDH2 P12268 1/20 0.33

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
SCHEMBL1611920 0.82 CYP2A6 (0.55) ALDH1A1TSHRMCL1CYP1A2CYP2A6
SCHEMBL8038001 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTRIM24TRIM33MCL1
SCHEMBL13563990 0.78 CYP1A2 (0.50) ALDH1A1TSHRMCL1CYP1A2KMT2A
SCHEMBL12811472 0.78 CYP1A2 (0.50) ALDH1A1TSHRMCL1CYP1A2KMT2A
SCHEMBL787917 0.76 MAOA (0.44) ALDH1A1TSHRTRIM24TRIM33KMT2A
SCHEMBL29957919 0.74 ALDH1A1 (0.60) ALDH1A1TSHRTRIM24TRIM33MCL1
SCHEMBL12143563 0.74 ALDH1A1 (0.60) ALDH1A1TSHRTRIM24TRIM33MCL1
SCHEMBL9379369 0.74 MCL1 (0.52) ALDH1A1MCL1CYP1A2CYP2A6LMNA
SCHEMBL12799811 0.74 MCL1 (0.47) ALDH1A1MCL1CYP1A2CYP2A6PRKDC
SCHEMBL1320093 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTRIM24TRIM33CYP1A2

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-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 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-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound CYP2A6, CYP2B6, XPO6 ALDH1A1 1360/4885TSHR 3028/4885TRIM24 2886/4885
US-20080319175-A1 Transthyretin Stabilization TTR, TTPA, ALB ALDH1A1 525/4885TSHR 1379/4885TRIM24 1620/4885

“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.