SCHEMBL1105504

SCHEMBL1105504

COC(=O)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
PTPN11 Q06124 1/20 0.66
MAPT P10636 4/20 0.59
RAB9A P51151 3/20 0.59
L3MBTL1 Q9Y468 4/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 3/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54

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
Diphenylacetylene SCHEMBL27943421 0.94 TSHR (0.76) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL404435 0.93 TSHR (0.62) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL69268 0.92 PTPN11 (0.69) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL23128710 0.87 PTPN11 (0.56) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL1535874 0.86 PTPN11 (0.63) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL19168005 0.86 POLB (0.53) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL19168576 0.86 POLB (0.53) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL2747144 0.85 TSHR (0.57) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL5685399 0.85 TSHR (0.57) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL16140276 0.85 TDP1 (0.77) TSHRPTPN11MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274886-A1 Crosslinkable Soluble Aromatic Polyester TICONA LLC 2015-10-01 US claimed
US-9145519-B2 Crosslinkable aromatic polyester TICONA LLC (US) 2015-09-29 US claimed
WO-2014047015-A1 CROSSLINKABLE AROMATIC POLYESTER TICONA LLC (US) 2014-03-27 WO claimed
US-20140088247-A1 Crosslinkable Aromatic Polyester TICONA LLC (US) 2014-03-27 US claimed
US-12435051-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof VIVOZON, INC. (KR) 2025-10-07 US disclosed
US-20240360092-A1 DUAL MODULATOR OF MGLUR5 AND 5-HT2A RECEPTOR, AND USE THEREOF VIVOZON INC. (KR) 2024-10-31 US disclosed
US-12060339-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof VIVOZON INC. (KR) 2024-08-13 US disclosed
EP-4190770-A1 DUAL REGULATOR FOR MGLUR5 AND 5-HT2A RECEPTORS AND USE THEREOF Vivozon, Inc. (KR) 2023-06-07 EP disclosed
EP-4190770-A1 DUAL REGULATOR FOR MGLUR5 AND 5-HT2A RECEPTORS AND USE THEREOF Vivozon, Inc. (KR) 2023-06-07 EP disclosed
CN-116234552-A Dual modulators of mGluR5 and 5-HT2A receptors and uses thereof (株)倍宝尊 2023-06-06 CN disclosed
US-20220274939-A1 DUAL MODULATOR OF MGLUR5 AND 5-HT2A RECEPTOR, AND USE THEREOF VIVOZON INC. (KR) 2022-09-01 US disclosed
US-11383220-B1 Method and material for synthesis and purification by use of a coated solid substrate Faster Chemistry LLC (US) 2022-07-12 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090287016-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-19 US disclosed
US-7560596-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 US disclosed
US-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-02-22 US disclosed
US-20060173186-A1 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-08-03 US disclosed
US-3935239-A Process for producing aromatic α-diketones NEILAND OYAR YANOVICH 1976-01-27 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 (9 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-20090287016-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions NBAS, APEX1, CBR3 TSHR 2373/4885PTPN11 4007/4885MAPT 3263/4885
US-12435051-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof GRM5, HTR5A, HTR2A TSHR 611/4885PTPN11 1145/4885MAPT 3933/4885
US-20060173186-A1 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions NBAS, APEX1, CBR3 TSHR 2373/4885PTPN11 4007/4885MAPT 3263/4885
US-20240360092-A1 DUAL MODULATOR OF MGLUR5 AND 5-HT2A RECEPTOR, AND USE THEREOF GRM5, HTR5A, HTR2A TSHR 611/4885PTPN11 1145/4885MAPT 3933/4885
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT TSHR 4380/4885PTPN11 4252/4885MAPT 3987/4885
US-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis NOS1, NOS2, F12 TSHR 3095/4885PTPN11 1900/4885MAPT 862/4885
US-12060339-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof GRM5, HTR5A, HTR2A TSHR 611/4885PTPN11 1145/4885MAPT 3933/4885
US-20220274939-A1 DUAL MODULATOR OF MGLUR5 AND 5-HT2A RECEPTOR, AND USE THEREOF GRM5, HTR5A, HTR2A TSHR 611/4885PTPN11 1145/4885MAPT 3933/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS TSHR 4122/4885PTPN11 3357/4885MAPT 4619/4885

“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.