SCHEMBL2679567

SCHEMBL2679567

O=C(O)c1ccc(C#CC#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
RARB P10826 2/20 0.59
RARG P13631 2/20 0.59
PTPN11 Q06124 1/20 0.55
SRD5A2 P31213 3/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL402852 0.93 TSHR (0.54) TSHRTP53RARBRARGPTPN11
SCHEMBL29789030 0.90 RARB (0.69) TSHRTP53RARBRARGPTPN11
SCHEMBL69572 0.90 RARB (0.69) TSHRTP53RARBRARGPTPN11
SCHEMBL15960259 0.89 RARB (0.55) TSHRTP53RARBRARGPTPN11
SCHEMBL403432 0.89 APP (0.50) TSHRTP53RARBRARGPTPN11
Hydrochloric Acid SCHEMBL5666955 0.87 RARB (0.67) TSHRTP53RARBRARGPTPN11
SCHEMBL16345667 0.87 RARB (0.52) TSHRTP53RARBRARGPTPN11
SCHEMBL399190 0.87 RARB (0.52) TSHRTP53RARBRARGPTPN11
SCHEMBL13245019 0.86 ACACB (0.48) TSHRTP53RARBRARGPTPN11
SCHEMBL16820923 0.86 MMP2 (0.51) TSHRTP53RARBRARGPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4895975-A Diacetylene compound and process for production of polymer containing diacetylene groups from the diacetylene compound KOZO IIZUKA, DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1990-01-23 US claimed
US-12630567-B2 High yield synthesis of metal-organic frameworks ExxonMobil Technology and Engineering Company (US) 2026-05-19 US disclosed
US-20240336636-A1 METAL-ORGANIC FRAMEWORK THE UNIVERSITY OF LIVERPOOL (GB) 2024-10-10 US disclosed
US-12107210-B2 Lithium-sulfur and sodium-sulfur battery cathodes THE JOHNS HOPKINS UNIVERSITY (US) 2024-10-01 US disclosed
EP-4370244-A1 METAL-ORGANIC FRAMEWORK The University of Liverpool (GB) 2024-05-22 EP disclosed
US-20230178848-A1 ELECTRODE SEPARATORS UNIV KING ABDULLAH SCI & TECH (SA) 2023-06-08 US disclosed
US-20230151028-A1 High Yield Synthesis Of Metal-Organic Frameworks ExxonMobil Technology and Engineering Company 2023-05-18 US disclosed
US-11643372-B2 Method of using metal organic framework PHILLIPS 66 COMPANY (US) 2023-05-09 US disclosed
EP-4139321-A1 HIGH YIELD SYNTHESIS OF METAL-ORGANIC FRAMEWORKS ExxonMobil Technology and Engineering Company (US) 2023-03-01 EP disclosed
WO-2023285834-A1 METAL-ORGANIC FRAMEWORK THE UNIVERSITY OF LIVERPOOL (GB) 2023-01-19 WO disclosed
US-9474997-B1 Metal-organic framework sorbents having hierarchical pore structure and method of making the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2016-10-25 US disclosed
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-9114348-B2 Metal organic framework compounds UNIVERSITETET I OSLO (NO) 2015-08-25 US disclosed
US-20140322123-A1 METAL ORGANIC FRAMEWORK COMPOUNDS UNIVERSITETET I OSLO (NO) 2014-10-30 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
US-8653292-B2 Metal organic framework compounds UNIVERSITETET I OSLO (NO) 2014-02-18 US disclosed
EP-2291384-B1 METAL ORGANIC FRAMEWORK COMPOUNDS UNI I OSLO (NO) 2013-09-04 EP 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-20120115961-A1 METAL ORGANIC FRAMEWORK COMPOUNDS UNIVERSITETET I OSLO (NO) 2012-05-10 US disclosed
US-4895975-A Diacetylene compound and process for production of polymer containing diacetylene groups from the diacetylene compound KOZO IIZUKA, DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1990-01-23 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 (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-20140234624-A1 MICROPOROUS COORDINATION COMPLEX AND METHOD OF MAKING THE SAME CTCF, PCBP1, FHIT TSHR 3003/4885TP53 995/4885RARB 3014/4885
US-12630567-B2 High yield synthesis of metal-organic frameworks ODC1, POF1B, DDC TSHR 4032/4885TP53 662/4885RARB 2110/4885
US-20230151028-A1 High Yield Synthesis Of Metal-Organic Frameworks MAX, POF1B, CPSF1 TSHR 4219/4885TP53 1028/4885RARB 3007/4885

“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.