SCHEMBL7948381

SCHEMBL7948381

CC(C)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
ALOX12 P18054 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPY5R Q15761 1/20 0.48
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
PTGS1 P23219 1/20 0.47
HPGD P15428 3/20 0.46
MAPT P10636 2/20 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
SCHEMBL11068392 0.85 FFAR1 (0.48) LMNAHPGDRAB9AMAOBLTA4H
SCHEMBL22417483 0.83 MAOB (0.53) TDP1ALDH1A1CYP3A4ATMMITF
SCHEMBL13302607 0.82 TDP1 (0.64) TDP1ALDH1A1LMNAALOX12TSHR
SCHEMBL5297419 0.82 PTGS1 (0.56) ALDH1A1LMNANPY5RHTTMITF
SCHEMBL631776 0.81 KCNH3 (0.64) TDP1ALDH1A1LMNATSHRTHRB
SCHEMBL17204352 0.80 KCNH3 (0.71) TSHRPOLBKCNH3
Hydrochloric Acid SCHEMBL2249099 0.79 KCNH3 (0.67) TDP1ALDH1A1LMNATSHRTHRB
SCHEMBL11420472 0.79 TDP1 (0.48) TDP1ALDH1A1LMNAALOX12TSHR
SCHEMBL8310971 0.79 TSHR (0.52) ALDH1A1LMNATSHRNPY5RHTT
SCHEMBL11044521 0.78 ALDH1A1 (0.49) ALDH1A1LMNANPY5RHTTMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682150-B1 COMPOSITIONS AND METHODS FOR INDUCING CELL DEDIFFERENTIATION SCRIPPS RESEARCH INST (US) 2012-12-26 EP disclosed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 WO disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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 (3 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD TDP1 2281/4885ALDH1A1 2503/4885LMNA 1127/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD TDP1 2281/4885ALDH1A1 2503/4885LMNA 1127/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD TDP1 2281/4885ALDH1A1 2503/4885LMNA 1127/4885

“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.