SCHEMBL2587303

SCHEMBL2587303

Cc1ccccc1N1CCN(c2ccccc2C)C1=[Ru](Cl)(Cl)=Cc1ccccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.34
ADRA1A P35348 5/20 0.34
ADRA1B P35368 5/20 0.34
P2RX7 Q99572 3/20 0.33
C5AR1 P21730 1/20 0.33
DRD2 P14416 1/20 0.33
KCNN4 O15554 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL34469514 1.00 ADRA1D (0.34) ADRA1DADRA1AADRA1BP2RX7C5AR1
SCHEMBL3443411 0.90 MAPT (0.32) ADRA1DADRA1AADRA1BDRD2KCNN4
SCHEMBL14995111 0.88 P2RX7 (0.34) ADRA1DADRA1AADRA1BP2RX7C5AR1
SCHEMBL135939 0.85 MAPT (0.32)
SCHEMBL29365624 0.85 MAPT (0.32)
Hydrochloric Acid SCHEMBL2833170 0.84 MAPT (0.32)
SCHEMBL23781985 0.82 MAPK1 (0.38) ADRA1DADRA1AADRA1BDRD2
SCHEMBL17685652 0.81 C5AR1 (0.33) ADRA1DADRA1AADRA1BC5AR1
SCHEMBL34469822 0.81 C5AR1 (0.33) ADRA1DADRA1AADRA1BC5AR1
SCHEMBL30084634 0.81 ALDH1A1 (0.36) ADRA1DADRA1AADRA1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612352-B2 Process for preparing perfuming intermediate FIRMENICH SA (CH) 2026-04-28 US claimed
US-20240368068-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES FIRMENICH SA (CH) 2024-11-07 US claimed
EP-4367109-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES Firmenich SA (CH) 2024-05-15 EP claimed
US-20230095887-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATE FIRMENICH SA (CH) 2023-03-30 US claimed
WO-2023036732-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES FIRMENICH SA (CH) 2023-03-16 WO claimed
WO-2021176009-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATE FIRMENICH SA (CH) 2021-09-10 WO claimed
EP-3713989-B1 HIGH MOLECULAR WEIGHT POLYOXYETHYLENE WITH DEEP GLASS TEMPERATURE MADE USING THE GRAFTING THROUGH METHOD COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2021-06-30 EP claimed
US-10973847-B2 Core-to-surface polymerization for the synthesis of star polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-04-13 US claimed
US-20200377652-A1 HIGH MOLECULAR WEIGHT POLYOXYALKYLENE WITH LOW GLASS TRANSITION TEMPERATURE, PRODUCED BY THE GRAFTING THROUGH METHOD COVESTRO DEUTSCHLAND AG (DE) 2020-12-03 US claimed
EP-3087104-B1 METHOD FOR CONTROLLED METATHESIS DEPOLYMERIZATION OF NATURAL RUBBER FROM NATURAL RUBBER LATEX MICHELIN & CIE (FR) 2019-11-13 EP claimed
US-10384987-B2 1,3-butadiene synthesis ARLANXEO DEUTSCHLAND GMBH (DE) 2019-08-20 US claimed
EP-3233768-B1 1,3-BUTADIENE SYNTHESIS ARLANXEO DEUTSCHLAND GMBH (DE) 2019-02-20 EP claimed
US-20170327436-A1 1,3-BUTADIENE SYNTHESIS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-16 US claimed
EP-2897992-B1 FUNCTIONALIZED RESINS OBTAINED VIA OLEFIN METATHESIS EXXONMOBIL CHEMICAL PATENTS INC (US) 2017-11-08 EP claimed
US-20140088277-A1 Functionalized Resins Obtained Via Olefin Metathesis EXXONMOBIL CHEMICAL PATENTS INC. 2014-03-27 US claimed
US-8623962-B2 Olefin functionalization by metathesis reaction EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-01-07 US claimed
US-20130281626-A1 Polyolefin Compositions and Methods of Production Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2013-10-24 US claimed
US-20120245294-A1 Olefin Triblock Polymers via Ring-Opening Metathesis Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2012-09-27 US claimed
US-20090318647-A1 Olefin Functionalization By Metathesis Reaction EXXONMOBIL CHEMICAL PATENTS INC. 2009-12-24 US claimed
US-20080227851-A1 LAULIMALIDE AND LAULIMALIDE ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20080227851-A1 LAULIMALIDE AND LAULIMALIDE ANALOGS SSB, LPXN, LTA ADRA1D 4361/4885ADRA1A 4511/4885ADRA1B 4017/4885
US-20140088277-A1 Functionalized Resins Obtained Via Olefin Metathesis C1R, CBR1, DECR1 ADRA1D 678/4885ADRA1A 527/4885ADRA1B 936/4885
US-10384987-B2 1,3-butadiene synthesis SQLE, FDFT1, ENO1 ADRA1D 1129/4885ADRA1A 1381/4885ADRA1B 2009/4885
US-10973847-B2 Core-to-surface polymerization for the synthesis of star polymers and uses thereof STARD7, MB, STARD3 ADRA1D 4830/4885ADRA1A 4418/4885ADRA1B 4742/4885
US-20170327436-A1 1,3-BUTADIENE SYNTHESIS SQLE, FDFT1, ENO1 ADRA1D 1129/4885ADRA1A 1381/4885ADRA1B 2009/4885
US-12612352-B2 Process for preparing perfuming intermediate CBR1, CYP2E1, CBR3 ADRA1D 681/4885ADRA1A 967/4885ADRA1B 1241/4885
US-20240368068-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES POR, PPOX, ACLY ADRA1D 2894/4885ADRA1A 2225/4885ADRA1B 2020/4885
US-20230095887-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATE POR, CYP1B1, CYP1A2 ADRA1D 2497/4885ADRA1A 2049/4885ADRA1B 1674/4885

“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.