SCHEMBL5704167

SCHEMBL5704167

C#CCOc1ccc(OCC#C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.63
▸ CA4 P22748 6/20 0.63
▸ CA9 Q16790 6/20 0.63
▸ CA1 P00915 2/20 0.63
▸ GSTP1 P09211 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ CA7 P43166 1/20 0.63
▸ MAOB P27338 8/20 0.57
▸ MAOA P21397 7/20 0.57
▸ ACHE P22303 1/20 0.57
▸ PTGS2 P35354 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A1 P04798 1/20 0.42

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
Hydrochloric Acid SCHEMBL21694040 0.97 CA12 (0.61) CA12CA4CA9CA1GSTP1
SCHEMBL9155218 0.92 GSTP1 (0.68) CA12CA4CA9CA1GSTP1
SCHEMBL15800551 0.92 CA12 (0.57) CA12CA4CA9CA1GSTP1
SCHEMBL5684218 0.90 GSTP1 (0.60) CA12CA4CA9CA1GSTP1
SCHEMBL5981846 0.88 CA12 (0.53) CA12CA4CA9CA1GSTP1
SCHEMBL975819 0.88 CA12 (0.53) CA12CA4CA9CA1GSTP1
SCHEMBL126400 0.88 CA12 (0.58) CA12CA4CA9CA1GSTP1
SCHEMBL22388776 0.88 CA12 (0.53) CA12CA4CA9CA1GSTP1
SCHEMBL3805100 0.88 CA12 (0.53) CA12CA4CA9CA1GSTP1
SCHEMBL975817 0.88 CA12 (0.58) CA12CA4CA9CA1GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026041877-A1 SENSING OF SULFUR MUSTARD AND ITS DERIVATIVES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2026-02-26 — — WO disclosed
WO-2026041876-A1 HALOGEN BONDING RECEPTORS AND USES THEREOF OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2026-02-26 — — WO disclosed
EP-3207046-B1 ACYCLIC CUCURBIT(N)URIL TYPE MOLECULAR CONTAINERS TO TREAT INTOXICATION AND DECREASE RELAPSE RATE IN SUBSTANCE ABUSE DISORDERS UNIV MARYLAND (US) 2024-09-25 — — EP disclosed
US-20240124476-A1 MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2024-04-18 — — US disclosed
US-11897893-B2 Molecular containers and methods of making and using same UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2024-02-13 — — US disclosed
US-20240026069-A1 POLYMER, COMPOSITION, CURED PRODUCT, LAMINATE, AND ELECTRONIC COMPONENT JSR CORPORATION (JP) 2024-01-25 — — US disclosed
US-20230345631-A1 PREPREG, METAL-CLAD LAMINATE, AND PRINTED WIRING BOARD JSR CORPORATION (JP) 2023-10-26 — — US disclosed
US-11322687-B2 Charge transporting semi-conducting material and semi-conducting device NOVALED GMBH (DE) 2022-05-03 — — US disclosed
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 — — US disclosed
US-11117873-B2 Oxazine compound, composition, and cured product DIC CORPORATION (JP) 2021-09-14 — — US disclosed
US-20130101516-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-04-25 — — US disclosed
WO-2012051413-A1 REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL MOLECULAR CONTAINERS UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2012-04-19 — — WO disclosed
WO-2012051407-A2 MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2012-04-19 — — WO disclosed
EP-1148079-B1 Diacetylenic polyorganosiloxanes, intermediates therefor, and cured compositions prepared therefrom GEN ELECTRIC (US) 2006-07-26 — — EP disclosed
EP-1148079-A2 Diacetylenic polyorganosiloxanes, intermediates therefor, and cured compositions prepared therefrom GENERAL ELECTRIC COMPANY (US) 2001-10-24 — — EP disclosed
US-6271280-B1 CHEMICAL INTERMEDIATES WITH ACETYLENE GROUPS AND POLYSILOXANES GENERAL ELECTRIC COMPANY 2001-08-07 — — US disclosed
EP-0333445-B1 Aromatic allene compounds and preparation thereof NIPPON PAINT CO LTD (JP) 1995-01-18 — — EP disclosed
US-5340931-A Chemical intermediates for allyl or vinyl ether polymers NIPPON PAINT CO., LTD. (JP) 1994-08-23 — — US disclosed
EP-0333445-A2 Aromatic allene compounds and preparation thereof NIPPON PAINT CO., LTD. (JP) 1989-09-20 — — EP disclosed
US-4169851-A PROCESS FOR THE MANUFACTURE OF ACETOACETYL-AMINOBENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-02 — — 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 (5 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-11897893-B2 Molecular containers and methods of making and using same CBR1, CNR1, CNR2 CA12 136/4885CA4 85/4885CA9 273/4885
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT CA12 1592/4885CA4 471/4885CA9 894/4885
US-20130101516-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS MCM6, MPI, MSH2 CA12 104/4885CA4 1194/4885CA9 177/4885
US-11117873-B2 Oxazine compound, composition, and cured product KDM5A, WDR5, SMC4 CA12 553/4885CA4 558/4885CA9 1345/4885
US-20240124476-A1 MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME CBR1, CNR1, CNR2 CA12 136/4885CA4 85/4885CA9 273/4885

“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.

Send feedback