SCHEMBL610027

SCHEMBL610027

C#CCC(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AOC3 Q16853 5/20 0.47
RIPK1 Q13546 1/20 0.44
TSHR P16473 2/20 0.41
BCAT2 O15382 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15195448 1.00 LMNA (0.52) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL19896651 0.88 TAAR1 (0.39) LMNAKDM4EL3MBTL1AOC3TSHR
SCHEMBL11673244 0.83 LMNA (0.41) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL21935479 0.80 TAAR1 (0.54) LMNAKDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL4169733 0.79 LMNA (0.54) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL27692795 0.78 RIPK1 (0.50) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL2496078 0.78 RIPK1 (0.50) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL24240337 0.78 CYP19A1 (0.41) KDM4EAOC3TSHRSMN1; SMN2KMT2A
SCHEMBL12236986 0.78 TACR1 (0.40) LMNAKDM4EL3MBTL1AOC3TSHR
SCHEMBL9644848 0.78 PYCR1 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619855-A Amide or ester compound or derivative thereof and application thereof 暨南大学 2024-09-10 CN disclosed
US-11084834-B2 Chiral phosphoramidimidates and derivatives thereof STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-08-10 US disclosed
EP-3344639-B1 CHIRAL PHOSPHORAMIDIMIDATES AND DERIVATIVES THEREOF STUDIENGESELLSCHAFT KOHLE MBH (DE) 2020-06-24 EP disclosed
US-9981923-B2 1,2,3 Triazole antifungal agents and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-29 US disclosed
US-9981923-B2 1,2,3 Triazole antifungal agents and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-29 US disclosed
US-9783561-B2 Chiral imidodiphosphates and derivatives thereof STUDIENGESELLSCHAFT KOHLE MBH (DE) 2017-10-10 US disclosed
US-9783561-B2 Chiral imidodiphosphates and derivatives thereof STUDIENGESELLSCHAFT KOHLE MBH (DE) 2017-10-10 US disclosed
EP-2802561-B1 CHIRAL IMIDODIPHOSPHATES AND DERIVATIVES THEREOF STUDIENGESELLSCHAFT KOHLE MBH (DE) 2017-07-26 EP disclosed
US-20170197924-A1 Novel 1,2,3 Triazole Antifungal Agents and Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-07-13 US disclosed
US-20170197924-A1 Novel 1,2,3 Triazole Antifungal Agents and Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-07-13 US disclosed
EP-0820809-A1 TITANIUM CATALYST, ORGANOTITANIUM REACTION REAGENT, PROCESSES FOR PRODUCING THESE, AND METHOD OF REACTION USING THESE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-01-28 EP disclosed
US-5523495-A REACTING KETONE OR ALDEHYDE WITH A DIHALOPROPENE IN PRESENCE OF ZINC POWDER, WATER AND ACID YIELDS A HALOALLYLCARBINOL WHICH CAN BE DEHALOGENATED WITH A BASE, NONEXPLOSIVE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-06-04 US disclosed
EP-0404077-B1 Process for producing propargylcarbinol compounds SUMITOMO CHEMICAL CO (JP) 1994-06-01 EP disclosed
US-5258529-A Dehydrohalogenation of corresponding alkene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-02 US disclosed
EP-0404077-A1 Process for producing propargylcarbinol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-27 EP disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4168367-A BY-PRODUCT INHIBITION, CROSSLINKING PLASTICS ENGINEERING COMPANY (US) 1979-09-18 US disclosed
US-4166168-A POLYMERIZATION PRODUCTS OF ACETYLENE-TERMINATED POLYIMIDE DERIVATIVES PLASTICS ENGINEERING COMPANY (US) 1979-08-28 US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 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 (2 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-11084834-B2 Chiral phosphoramidimidates and derivatives thereof PLCB3, PIN1, PLCD1 LMNA 4608/4885KDM4E 4152/4885L3MBTL1 2951/4885
US-20170197924-A1 Novel 1,2,3 Triazole Antifungal Agents and Preparation Thereof ERG28, CYP51A1, CYP2F1 LMNA 4224/4885KDM4E 3838/4885L3MBTL1 1795/4885

“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.