SCHEMBL946779

SCHEMBL946779

C#Cc1ccc(OCCCCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.61
LTA4H P09960 4/20 0.55
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 4/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RARB P10826 3/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PLA2G4A P47712 1/20 0.47

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
SCHEMBL948700 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2832393 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL3924421 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9706419 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL4748828 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL949228 0.98 NR5A1 (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL7697232 0.95 RARB (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10987211 0.95 RARB (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1007565 0.94 LTA4H (0.53) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL10987443 0.93 CYP2D6 (0.56) NR5A1LTA4HTP53TSHRPLA2G4B

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
CN-115215720-B Graphene nano fragment molecule containing azulene unit-azulene and jade red province and synthesis method and application thereof 中国科学院化学研究所 2023-08-22 CN disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
CN-115215720-A Graphene nano fragment molecule-azulene jade red province containing azulene unit, and synthesis method and application thereof 中国科学院化学研究所 2022-10-21 CN disclosed
CN-112275322-B Preparation method and application of supported CNTs @ NHC-Cu catalytic material 中国科学院兰州化学物理研究所 2022-01-25 CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
US-7820631-B2 Anti-viral pyrimidine nucleoside analogues REGA FOUNDATION (BE) 2010-10-26 US disclosed
US-7786235-B2 Block polymer and device CANON KABUSHIKI KAISHA (JP) 2010-08-31 US disclosed
EP-2189482-A1 BLOCK POLYMER AND DEVICE Canon Kabushiki Kaisha (JP) 2010-05-26 EP disclosed
US-20090159856-A1 BLOCK POLYMER AND DEVICE CANON KABUSHIKI KAISHA (JP) 2009-06-25 US disclosed
US-20080220258-A1 HELICAL SUBSTITUTED POLYACETYLENE STRUCTURE, METHOD FOR PRODUCING THE SAME, DEVICE STRUCTURE, ION TRANSPORT FILM AND GAS SEPARATION FILM CANON KABUSHIKI KAISHA (JP) 2008-09-11 US disclosed
EP-1274713-B1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES UNIV CARDIFF (GB) 2004-03-10 EP disclosed
US-20030148967-A1 Anti-viral pyrimidine nucleoside analogues REGA FOUNDATION (BE) 2003-08-07 US disclosed
EP-1274713-A1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES University College Cardiff Consultants Limited (GB) 2003-01-15 EP disclosed
WO-2001083501-A1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-11-08 WO disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 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 (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-20030148967-A1 Anti-viral pyrimidine nucleoside analogues NUDT1, DNTT, RNMT NR5A1 831/4885LTA4H 2687/4885TP53 936/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC NR5A1 3703/4885LTA4H 3475/4885TP53 3354/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC NR5A1 3703/4885LTA4H 3475/4885TP53 3354/4885

“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.