SCHEMBL5047765

SCHEMBL5047765

O=C(O)c1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.60
RARG P13631 6/20 0.60
RARA P10276 4/20 0.60
KDM4E B2RXH2 3/20 0.55
ERN1 O75460 1/20 0.54
BCL2L1 Q07817 1/20 0.54
BAD Q92934 1/20 0.54
RXRA P19793 3/20 0.53
RXRB P28702 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 2/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL29049592 0.98 RARB (0.62) RARBRARGRARAKDM4EERN1
SCHEMBL30526912 0.98 RARB (0.62) RARBRARGRARAKDM4EERN1
SCHEMBL21834495 0.96 KDM4E (0.59) RARBRARGRARAKDM4EBCL2L1
SCHEMBL13900230 0.96 RARB (0.64) RARBRARGRARAKDM4EERN1
SCHEMBL16424506 0.96 KDM4E (0.59) RARBRARGRARAKDM4EBCL2L1
SCHEMBL2310774 0.92 KMO (0.62) RARBRARGRARAKDM4ERXRA
SCHEMBL4751255 0.90 ESR1 (0.61) RARBRARGRARAKDM4EERN1
Terephthalic Acid SCHEMBL2846917 0.89 TSHR (0.67) KDM4EHSD17B10TP53TSHRMEN1
SCHEMBL15960258 0.88 RARB (0.58) RARBRARGRARAKDM4EERN1
SCHEMBL27734137 0.88 BCL2L1 (0.68) RARBRARGRARAKDM4EERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353129-B2 Microporous coordination complex and method of making the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-05-31 US disclosed
US-20140234624-A1 MICROPOROUS COORDINATION COMPLEX AND METHOD OF MAKING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-21 US disclosed
WO-2013006767-A2 MICROPOROUS COORDINATION COMPLEX AND METHOD OF MAKING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-01-10 WO disclosed
US-7317066-B2 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-01-08 US disclosed
US-7317066-B2 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-01-08 US disclosed
US-7317066-B2 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-01-08 US disclosed
US-20060293490-A1 Liquid crystal polymers BENICEWICZ BRIAN 2006-12-28 US disclosed
US-7148311-B2 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2006-12-12 US disclosed
US-20050197483-A1 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2005-09-08 US disclosed
WO-2004016673-A1 LIQUID CRYSTAL POLYMERS RENSSELAER POLYTECHNIC INSTITUTE (US) 2004-02-26 WO disclosed
EP-0558157-B1 Naphthalene compounds MITSUBISHI GAS CHEMICAL CO (JP) 1995-11-29 EP disclosed
EP-0390322-B1 Naphthalene compounds MITSUBISHI GAS CHEMICAL CO (JP) 1994-04-27 EP disclosed
EP-0558157-A1 Naphthalene compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-09-01 EP disclosed
US-5151549-A NAPHTHALENE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-09-29 US disclosed
US-5146025-A NAPHTHALENE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-09-08 US disclosed
EP-0390322-A2 Naphthalene compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-10-03 EP 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-20140234624-A1 MICROPOROUS COORDINATION COMPLEX AND METHOD OF MAKING THE SAME CTCF, PCBP1, FHIT RARB 3014/4885RARG 2958/4885RARA 2803/4885

“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.