SCHEMBL2805901

SCHEMBL2805901

O=C(O)Cc1c(C(=O)O)nc2ccccc2c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
POLB P06746 1/20 0.62
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
PDE10A Q9Y233 3/20 0.49
DHODH Q02127 4/20 0.46
TSHR P16473 1/20 0.45
GLA P06280 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DYRK1A Q13627 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL8267472 0.83 LMNA (0.82) LMNAPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL10467734 0.79 ALDH1A1 (0.63) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL27519040 0.76 SMN1; SMN2 (0.51) LMNAPOLBALDH1A1KDM4EKMT2A
SCHEMBL28250898 0.75 LMNA (0.73) LMNAPOLBSMN1; SMN2PDE10ADHODH
SCHEMBL2806955 0.75 LMNA (0.73) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL29377848 0.74 PDE10A (0.66) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL641899 0.74 PDE10A (0.66) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL3194000 0.73 KDM4E (0.50) LMNAPOLBALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL1603404 0.73 PDE10A (0.63) LMNAPOLBALDH1A1KDM4EKMT2A
Iodide SCHEMBL8029606 0.73 PDE10A (0.63) LMNAALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US claimed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US claimed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US claimed
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US disclosed
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US disclosed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION L'OREAL (FR) 2009-01-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 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 (5 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB LMNA 3323/4885POLB 679/4885ALDH1A1 3948/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB LMNA 3323/4885POLB 679/4885ALDH1A1 3948/4885
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS CUTA, SUCLG1, KRT18 LMNA 1561/4885POLB 1148/4885ALDH1A1 1901/4885
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION CUTA, SYMPK, TPRKB LMNA 72/4885POLB 245/4885ALDH1A1 4765/4885
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT ACMSD, CUTA, PCCA LMNA 833/4885POLB 705/4885ALDH1A1 1510/4885

“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.