SCHEMBL6578573

SCHEMBL6578573

CCOC(=O)c1ccc(N=O)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 8/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
TLR2 O60603 1/20 0.47
NSD2 O96028 1/20 0.47
PKM P14618 1/20 0.47
MPI P34949 1/20 0.47
GRK6 P43250 1/20 0.47
RECQL P46063 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 4/20 0.44

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
SCHEMBL449698 0.83 HDAC4 (0.73) HDAC4HDAC6ALDH1A1MAPTLMNA
SCHEMBL29617026 0.80 HDAC4 (0.64) HDAC4HDAC6ALDH1A1MAPTLMNA
SCHEMBL14167998 0.79 HDAC4 (0.35) HDAC4HDAC6ALDH1A1MAPTLMNA
SCHEMBL669793 0.78 HDAC4 (0.62) HDAC4HDAC6ALDH1A1MAPTLMNA
SCHEMBL14052281 0.77 HDAC4 (0.70) HDAC4HDAC6ALDH1A1MAPTLMNA
SCHEMBL2632284 0.77 HDAC4 (0.60) HDAC4HDAC6ALDH1A1MAPTLMNA
SCHEMBL1828976 0.77 HDAC4 (0.65) HDAC4HDAC6ALDH1A1MAPTLMNA
SCHEMBL28427399 0.77 HDAC4 (0.65) HDAC4HDAC6ALDH1A1MAPTLMNA
SCHEMBL3066300 0.75 HDAC4 (0.63) HDAC4HDAC6ALDH1A1MAPTLMNA
SCHEMBL3824966 0.75 HDAC4 (0.63) HDAC4HDAC6ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937045-B1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
US-6660755-B2 Controlling cell proliferation agent; skin disorders; antiinflamamtory agents ALLERGAN, INC. 2003-12-09 US disclosed
US-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN, INC. 2003-06-12 US disclosed
US-6455701-B1 SUCH AS 4-((4'-TERT-BUTYL-3'-(4?-TRIFLUOROMETHYL)PHENOXY) PHENYLETHYNYL)BENZOIC ACID; SIDE EFFECT REDUCTION ALLERGAN, INC. 2002-09-24 US disclosed
US-6235923-B1 RETINOIDS AND CELL DIFFERENTIATION ALLERGAN SALES, INC. 2001-05-22 US disclosed
US-6225494-B1 TREATING SKIN DISORDERS, REDUCED SIDE EFFECTS ALLERGAN SALES, INC. 2001-05-01 US disclosed
US-6187950-B1 A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES ALLERGAN, INC. 2001-02-13 US disclosed
US-6037488-A COMPOUNDS SUCH AS 4-((4'-ISOPROPOXY-3'-(1-M-TOLYL)VINYL)PHENYLETHYNYL)BENZOIC ACID ALLERGAN SALES, INC. (US) 2000-03-14 US disclosed
EP-0975573-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2000-02-02 EP disclosed
EP-0937045-A1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY Allergan Sales, Inc. (US) 1999-08-25 EP disclosed
US-5919970-A Substituted diaryl or diheteroaryl methanes, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN SALES, INC. (US) 1999-07-06 US disclosed
WO-1998047854-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1998-10-29 WO disclosed
WO-1998019999-A1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY ALLERGAN SALES, INC. (US) 1998-05-14 WO disclosed
US-5739338-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS ALLERGAN (US) 1998-04-14 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-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity RXRB, RXRA, RXRG HDAC4 1245/4885HDAC6 3893/4885ALDH1A1 2168/4885

“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.