SCHEMBL3096849

SCHEMBL3096849

CC(NC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 4/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 3/20 0.59
HTT P42858 3/20 0.59
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 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
SCHEMBL29171758 0.86 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL5358945 0.85 LMNA (0.57) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL1526929 0.84 LMNA (0.50) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL9309784 0.84 LMNA (0.50) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL28259794 0.81 TSHR (0.55) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL31575774 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL24998749 0.81 MLYCD (0.58) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL155518 0.81 MLYCD (0.58) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL29772431 0.81 MLYCD (0.58) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL28504975 0.80 GAA (0.44) SMN1; SMN2ALDH1A1LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895637-B2 Environment-friendly antifoulants for the prevention of biofouling UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2014-11-25 US claimed
US-20140051751-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-20 US claimed
US-8575230-B2 Environment-friendly antifoulants for the prevention of biofouling UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2013-11-05 US claimed
US-20100256256-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-10-07 US claimed
WO-2008130558-A2 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2008-10-30 WO claimed
US-8895637-B2 Environment-friendly antifoulants for the prevention of biofouling UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2014-11-25 US disclosed
US-20140051751-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-20 US disclosed
US-8575230-B2 Environment-friendly antifoulants for the prevention of biofouling UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2013-11-05 US disclosed
US-20100256256-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-10-07 US disclosed
WO-2008130558-A2 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2008-10-30 WO 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-20140051751-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING TRPV1, CNR2, CNR1 SMN1; SMN2 3829/4885ALDH1A1 1736/4885LMNA 3134/4885
US-20100256256-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING TRPV1, CNR2, CNR1 SMN1; SMN2 3829/4885ALDH1A1 1736/4885LMNA 3134/4885

“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.