SCHEMBL2829916

SCHEMBL2829916

C/C=C\c1cc([N+](=O)[O-])ccc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.49
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TLR9 Q9NR96 1/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
PTGS2 P35354 1/20 0.41
RAB9A P51151 2/20 0.41
PDK1 Q15118 1/20 0.40
ERN1 O75460 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13988943 1.00 CYP19A1 (0.49) CYP19A1MEN1KMT2AHTTGLA
SCHEMBL2829919 1.00 CYP19A1 (0.49) CYP19A1MEN1KMT2AHTTGLA
SCHEMBL2537000 0.85 ERN1 (0.53) CYP19A1MEN1KMT2AHTTGLA
SCHEMBL28585971 0.84 CYP19A1 (0.50) CYP19A1MEN1KMT2AHTTGLA
SCHEMBL16958259 0.84 CYP19A1 (0.50) CYP19A1MEN1KMT2AHTTGLA
SCHEMBL10017635 0.84 CYP19A1 (0.50) CYP19A1MEN1KMT2AHTTGLA
SCHEMBL5740241 0.83 NFE2L2 (0.52) CYP19A1MEN1KMT2AHTTGLA
SCHEMBL5740242 0.83 NFE2L2 (0.52) CYP19A1MEN1KMT2AHTTGLA
SCHEMBL29860729 0.81 CYP19A1 (0.48) CYP19A1MEN1KMT2AHTTGLA
SCHEMBL16307958 0.81 CYP19A1 (0.48) CYP19A1MEN1KMT2AHTTGLA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12448404-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis APEIRON SYNTHESIS S.A. (PL) 2025-10-21 US disclosed
EP-3356379-B2 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS APEIRON SYNTHESIS SA (PL) 2025-09-03 EP disclosed
US-20250066402-A1 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS APEIRON SYNTHESIS SA (PL) 2025-02-27 US disclosed
US-12173015-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis APEIRON SYNTHESIS S.A. (PL) 2024-12-24 US disclosed
US-11976085-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis Aperion Synthesis S.A. (PL) 2024-05-07 US disclosed
US-20240076308-A1 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS APEIRON SYNTHESIS SA (PL) 2024-03-07 US disclosed
US-20220073549-A1 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis APEIRON SYNTHESIS SA (PL) 2022-03-10 US disclosed
US-11192911-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis APEIRON SYNTHESIS S.A. (PL) 2021-12-07 US disclosed
CN-108137631-B Process for preparing ruthenium complexes and intermediates thereof and their use in olefin metathesis 阿派朗合成公司 2021-04-16 CN disclosed
EP-3356379-B1 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS APEIRON SYNTHESIS SA (PL) 2021-03-10 EP disclosed
US-20180298046-A1 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS APEIRON SYNTHESIS S.A. (PL) 2018-10-18 US disclosed
EP-3356379-A1 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS Apeiron Synthesis S.A. (PL) 2018-08-08 EP disclosed
EP-1948671-B1 PREPARATION OF CATALYSTS BOEHRINGER INGELHEIM INT (DE) 2010-09-29 EP disclosed
US-20080319199-A1 Preparation of Catalysts BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
EP-1948671-A1 PREPARATION OF CATALYSTS Boehringer Ingelheim International GmbH (DE) 2008-07-30 EP disclosed
WO-2007054483-A1 PREPARATION OF CATALYSTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-18 WO 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-12448404-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis CYP2E1, CYP1A1, REV1 CYP19A1 81/4885MEN1 1376/4885KMT2A 4571/4885
US-20220073549-A1 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis POR, CYP1B1, CYP4F11 CYP19A1 25/4885MEN1 834/4885KMT2A 4482/4885
US-11976085-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis POR, CYP1B1, CYP4F11 CYP19A1 25/4885MEN1 834/4885KMT2A 4482/4885
US-11192911-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis POR, CYP1B1, CYP4F11 CYP19A1 25/4885MEN1 834/4885KMT2A 4482/4885
US-20180298046-A1 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS POR, CYP1B1, CYP4F11 CYP19A1 25/4885MEN1 834/4885KMT2A 4482/4885
US-12173015-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis POR, CYP1B1, CYP4F11 CYP19A1 25/4885MEN1 834/4885KMT2A 4482/4885
US-20080319199-A1 Preparation of Catalysts MARS2, DNMT3L, MSL1 CYP19A1 1664/4885MEN1 8/4885KMT2A 689/4885
US-20250066402-A1 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS CYP2E1, CYP1A1, REV1 CYP19A1 81/4885MEN1 1376/4885KMT2A 4571/4885
US-20240076308-A1 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS POR, CYP1B1, CYP4F11 CYP19A1 25/4885MEN1 834/4885KMT2A 4482/4885

“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.