SCHEMBL17685652

SCHEMBL17685652

CC(C)Oc1ccccc1C=[Ru](Cl)(Cl)=C1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.33
PIM2 Q9P1W9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL34469822 1.00 C5AR1 (0.33) C5AR1PIM2ALDH1A1ADRA1DADRA1A
SCHEMBL14995111 0.88 P2RX7 (0.34) C5AR1ADRA1DADRA1AADRA1B
SCHEMBL135939 0.83 MAPT (0.32)
SCHEMBL29365624 0.83 MAPT (0.32)
SCHEMBL20819289 0.82 GHSR (0.32)
SCHEMBL16444162 0.82 KMT2A (0.41) ALDH1A1
Hydrochloric Acid SCHEMBL2833170 0.82 MAPT (0.32)
SCHEMBL2587303 0.81 ADRA1D (0.34) C5AR1ADRA1DADRA1AADRA1B
SCHEMBL34469514 0.81 ADRA1D (0.34) C5AR1ADRA1DADRA1AADRA1B
SCHEMBL23781976 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367109-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES Firmenich SA (CH) 2024-05-15 EP claimed
EP-3515885-B1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES UMICORE AG & CO KG (DE) 2023-12-13 EP claimed
WO-2023036732-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES FIRMENICH SA (CH) 2023-03-16 WO claimed
EP-4069667-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATE Firmenich SA (CH) 2022-10-12 EP claimed
CN-109982995-B Preparation of amino acids and amino acid derivatives 优美科股份公司及两合公司 2022-09-30 CN claimed
US-10774035-B2 Preparation of amino acids and amino acid derivatives UMICORE AG & CO. KG (DE) 2020-09-15 US claimed
US-20190276388-A1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES UMICORE AG & CO KG (DE) 2019-09-12 US claimed
EP-3515885-A1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES UMICORE AG & CO. KG (DE) 2019-07-31 EP claimed
WO-2018057290-A1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES MATERIA, INC. (US) 2018-03-29 WO claimed
EP-3583088-B1 SYNTHESIS OF PHEROMONES AND RELATED MATERIALS VIA OLEFIN METATHESIS PROVIVI INC (US) 2025-09-10 EP disclosed
EP-4472983-A1 METHODS OF PREPARING AND CRYSTALLINE FORMS OF (6A,12A)-17-AMINO-12-METHYL-6,15-BIS(TRIFLUOROMETHYL)-13,19-DIOXA-3,4,18-TRIAZATRICYCLO[ 12.3.1.12,5]NONADECA-1(18),2,4,14,16-PENTAEN-6-OL Vertex Pharmaceuticals Incorporated (US) 2024-12-11 EP disclosed
EP-4444722-A1 ANTIMALARIAL AGENTS Merck Sharp & Dohme LLC (US) 2024-10-16 EP disclosed
US-12049443-B2 Synthesis of conjugated diene pheromones and related compounds PROVIVI, INC. (US) 2024-07-30 US disclosed
EP-4367109-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES Firmenich SA (CH) 2024-05-15 EP disclosed
US-9758445-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-09-12 US disclosed
US-9663459-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-05-30 US disclosed
US-9663440-B2 Cross metathesis of poly-branched poly-olefins MATERIA, INC. (US) 2017-05-30 US disclosed
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-06-30 US disclosed
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-05-26 US disclosed
US-20160107980-A1 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS MATERIA, INC. 2016-04-21 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 (6 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-20190276388-A1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES AADAT, BCAT1, BCAT2 C5AR1 3113/4885PIM2 846/4885ALDH1A1 911/4885
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, EPHX2, SMURF1 C5AR1 1450/4885PIM2 219/4885ALDH1A1 1887/4885
US-20160107980-A1 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS COASY, SQLE, FDFT1 C5AR1 3850/4885PIM2 393/4885ALDH1A1 2261/4885
US-12049443-B2 Synthesis of conjugated diene pheromones and related compounds PTMS, CHRNE, CHRNA7 C5AR1 1121/4885PIM2 64/4885ALDH1A1 1211/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 C5AR1 2770/4885PIM2 331/4885ALDH1A1 3135/4885
US-10774035-B2 Preparation of amino acids and amino acid derivatives AADAT, BCAT1, BCAT2 C5AR1 3113/4885PIM2 846/4885ALDH1A1 911/4885

“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.